Calcium in PDB 4nqq: Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
Protein crystallography data
The structure of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2, PDB code: 4nqq
was solved by
J.Brasch,
L.Shapiro,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
3.20
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
123.085,
188.700,
53.150,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.8 /
26.9
|
Other elements in 4nqq:
The structure of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Calcium atom in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
(pdb code 4nqq). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 14 binding sites of Calcium where determined in the
Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2, PDB code: 4nqq:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 1 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_01.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca301
b:24.7
occ:1.00
|
OE1
|
A:GLU69
|
2.1
|
23.6
|
1.0
|
OD1
|
A:ASP67
|
2.3
|
34.8
|
1.0
|
O
|
A:HOH427
|
2.4
|
12.2
|
1.0
|
OD2
|
A:ASP103
|
2.5
|
21.6
|
1.0
|
OE1
|
A:GLU11
|
2.7
|
27.6
|
1.0
|
HB2
|
A:GLU69
|
2.9
|
33.3
|
1.0
|
H
|
A:GLU69
|
3.2
|
50.2
|
1.0
|
CG
|
A:ASP103
|
3.2
|
21.4
|
1.0
|
CD
|
A:GLU69
|
3.2
|
29.4
|
1.0
|
OD1
|
A:ASP103
|
3.2
|
21.3
|
1.0
|
CG
|
A:ASP67
|
3.3
|
34.6
|
1.0
|
CD
|
A:GLU11
|
3.6
|
28.4
|
1.0
|
HD22
|
A:ASN12
|
3.6
|
32.8
|
1.0
|
OD1
|
A:ASN104
|
3.6
|
33.5
|
1.0
|
CB
|
A:GLU69
|
3.7
|
27.7
|
1.0
|
OE2
|
A:GLU11
|
3.8
|
32.4
|
1.0
|
OD2
|
A:ASP67
|
3.8
|
43.5
|
1.0
|
H
|
A:ARG68
|
3.8
|
22.1
|
1.0
|
CG
|
A:GLU69
|
3.8
|
32.2
|
1.0
|
HG2
|
A:GLU69
|
3.8
|
38.6
|
1.0
|
CA
|
A:CA302
|
3.8
|
23.1
|
1.0
|
HA
|
A:ASP67
|
3.9
|
31.4
|
1.0
|
N
|
A:GLU69
|
4.0
|
41.8
|
1.0
|
N
|
A:ARG68
|
4.2
|
18.4
|
1.0
|
OE2
|
A:GLU69
|
4.2
|
30.2
|
1.0
|
ND2
|
A:ASN12
|
4.4
|
27.4
|
1.0
|
CB
|
A:ASP67
|
4.4
|
31.7
|
1.0
|
HB3
|
A:GLU69
|
4.4
|
33.3
|
1.0
|
HD22
|
A:ASN104
|
4.5
|
34.4
|
1.0
|
CA
|
A:ASP67
|
4.5
|
26.2
|
1.0
|
CA
|
A:GLU69
|
4.5
|
30.1
|
1.0
|
C
|
A:ASP67
|
4.6
|
27.1
|
1.0
|
CG
|
A:ASN104
|
4.6
|
24.5
|
1.0
|
HB3
|
A:ARG68
|
4.6
|
26.8
|
1.0
|
CB
|
A:ASP103
|
4.6
|
23.1
|
1.0
|
HG3
|
A:GLU69
|
4.7
|
38.6
|
1.0
|
HB2
|
A:ASP103
|
4.8
|
27.7
|
1.0
|
HB2
|
A:ASP67
|
4.8
|
38.0
|
1.0
|
HB2
|
A:GLU11
|
4.9
|
28.3
|
1.0
|
OD1
|
A:ASN12
|
4.9
|
36.8
|
1.0
|
HD21
|
A:ASN12
|
4.9
|
32.8
|
1.0
|
ND2
|
A:ASN104
|
4.9
|
28.6
|
1.0
|
CG
|
A:GLU11
|
4.9
|
23.1
|
1.0
|
|
Calcium binding site 2 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 2 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_02.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca302
b:23.1
occ:1.00
|
OD1
|
A:ASP103
|
2.3
|
21.3
|
1.0
|
O
|
A:GLN101
|
2.3
|
24.5
|
1.0
|
OD1
|
A:ASP100
|
2.3
|
19.2
|
1.0
|
OE1
|
A:GLU69
|
2.4
|
23.6
|
1.0
|
OE2
|
A:GLU11
|
2.4
|
32.4
|
1.0
|
OD1
|
A:ASP136
|
2.4
|
23.2
|
1.0
|
OE2
|
A:GLU69
|
2.6
|
30.2
|
1.0
|
CD
|
A:GLU69
|
2.8
|
29.4
|
1.0
|
H
|
A:ASP103
|
3.0
|
30.8
|
1.0
|
H
|
A:GLN101
|
3.1
|
33.9
|
1.0
|
CG
|
A:ASP103
|
3.4
|
21.4
|
1.0
|
CG
|
A:ASP100
|
3.4
|
25.8
|
1.0
|
C
|
A:GLN101
|
3.5
|
25.4
|
1.0
|
CD
|
A:GLU11
|
3.5
|
28.4
|
1.0
|
CG
|
A:ASP136
|
3.6
|
20.6
|
1.0
|
HE
|
A:ARG68
|
3.7
|
34.0
|
1.0
|
HA
|
A:ASP136
|
3.7
|
24.4
|
1.0
|
N
|
A:GLN101
|
3.8
|
28.3
|
1.0
|
CA
|
A:CA301
|
3.8
|
24.7
|
1.0
|
OE1
|
A:GLU11
|
3.9
|
27.6
|
1.0
|
N
|
A:ASP103
|
3.9
|
25.7
|
1.0
|
OD2
|
A:ASP103
|
3.9
|
21.6
|
1.0
|
OD2
|
A:ASP100
|
4.0
|
21.0
|
1.0
|
HB3
|
A:ARG68
|
4.1
|
26.8
|
1.0
|
HB3
|
A:ASP136
|
4.2
|
24.2
|
1.0
|
CA
|
A:GLN101
|
4.2
|
25.1
|
1.0
|
HA
|
A:ASN102
|
4.2
|
22.9
|
1.0
|
HA
|
A:ASP100
|
4.2
|
31.4
|
1.0
|
CG
|
A:GLU69
|
4.2
|
32.2
|
1.0
|
HB2
|
A:GLN101
|
4.2
|
27.3
|
1.0
|
OD1
|
A:ASN104
|
4.2
|
33.5
|
1.0
|
CB
|
A:ASP136
|
4.3
|
20.1
|
1.0
|
HG2
|
A:GLU69
|
4.3
|
38.6
|
1.0
|
HH21
|
A:ARG68
|
4.4
|
31.6
|
1.0
|
CA
|
A:ASP136
|
4.4
|
20.3
|
1.0
|
OD2
|
A:ASP136
|
4.5
|
18.4
|
1.0
|
N
|
A:ASN102
|
4.5
|
24.8
|
1.0
|
CB
|
A:ASP103
|
4.5
|
23.1
|
1.0
|
NE
|
A:ARG68
|
4.5
|
28.4
|
1.0
|
H
|
A:ASN104
|
4.6
|
30.5
|
1.0
|
HG3
|
A:GLU69
|
4.6
|
38.6
|
1.0
|
CB
|
A:ASP100
|
4.6
|
26.9
|
1.0
|
CA
|
A:ASP103
|
4.7
|
25.3
|
1.0
|
H
|
A:ASP137
|
4.7
|
29.7
|
1.0
|
CA
|
A:ASN102
|
4.7
|
19.1
|
1.0
|
C
|
A:ASP100
|
4.7
|
27.5
|
1.0
|
CB
|
A:GLN101
|
4.7
|
22.7
|
1.0
|
CA
|
A:ASP100
|
4.7
|
26.2
|
1.0
|
HB3
|
A:ASP103
|
4.7
|
27.7
|
1.0
|
H
|
A:GLU69
|
4.7
|
50.2
|
1.0
|
CG
|
A:GLU11
|
4.8
|
23.1
|
1.0
|
HB2
|
A:ASN104
|
4.8
|
27.9
|
1.0
|
HG2
|
A:GLU11
|
4.8
|
27.7
|
1.0
|
C
|
A:ASN102
|
4.8
|
21.0
|
1.0
|
CG
|
A:ASN104
|
4.9
|
24.5
|
1.0
|
N
|
A:ASN104
|
4.9
|
25.4
|
1.0
|
HD3
|
A:ARG68
|
4.9
|
28.8
|
1.0
|
HB2
|
A:ASP100
|
5.0
|
32.2
|
1.0
|
HD21
|
A:ASN143
|
5.0
|
34.3
|
1.0
|
|
Calcium binding site 3 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 3 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_03.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca303
b:20.9
occ:1.00
|
OD2
|
A:ASP134
|
2.3
|
29.2
|
1.0
|
O
|
A:ASN104
|
2.3
|
29.9
|
1.0
|
OD1
|
A:ASN102
|
2.3
|
33.8
|
1.0
|
O
|
A:ASN143
|
2.4
|
21.5
|
1.0
|
OD2
|
A:ASP195
|
2.4
|
17.9
|
1.0
|
OD2
|
A:ASP136
|
2.4
|
18.4
|
1.0
|
OD1
|
A:ASP134
|
2.9
|
22.1
|
1.0
|
CG
|
A:ASP134
|
2.9
|
22.4
|
1.0
|
CG
|
A:ASP195
|
3.3
|
20.1
|
1.0
|
HB2
|
A:ASP136
|
3.4
|
24.2
|
1.0
|
HB3
|
A:ASP195
|
3.4
|
28.9
|
1.0
|
HB2
|
A:ASP195
|
3.4
|
28.9
|
1.0
|
CG
|
A:ASP136
|
3.5
|
20.6
|
1.0
|
CG
|
A:ASN102
|
3.5
|
23.5
|
1.0
|
C
|
A:ASN104
|
3.5
|
29.3
|
1.0
|
C
|
A:ASN143
|
3.5
|
23.4
|
1.0
|
CB
|
A:ASP195
|
3.6
|
24.1
|
1.0
|
H
|
A:ASN104
|
3.6
|
30.5
|
1.0
|
HD22
|
A:ASN102
|
3.8
|
29.7
|
1.0
|
HB3
|
A:ASN143
|
3.9
|
25.2
|
1.0
|
CB
|
A:ASP136
|
3.9
|
20.1
|
1.0
|
HA
|
A:LYS105
|
3.9
|
19.8
|
1.0
|
HA2
|
A:GLY144
|
4.0
|
23.5
|
1.0
|
HA
|
A:ASN143
|
4.0
|
27.3
|
1.0
|
HD3
|
A:PRO106
|
4.1
|
19.4
|
1.0
|
HB2
|
A:ASN104
|
4.1
|
27.9
|
1.0
|
ND2
|
A:ASN102
|
4.1
|
24.7
|
1.0
|
HA
|
A:ASN102
|
4.1
|
22.9
|
1.0
|
CA
|
A:ASN143
|
4.3
|
22.7
|
1.0
|
N
|
A:ASN104
|
4.3
|
25.4
|
1.0
|
HB3
|
A:ASP136
|
4.3
|
24.2
|
1.0
|
CA
|
A:ASN104
|
4.3
|
22.8
|
1.0
|
OD1
|
A:ASP195
|
4.4
|
22.9
|
1.0
|
CB
|
A:ASP134
|
4.4
|
26.6
|
1.0
|
N
|
A:LYS105
|
4.5
|
25.8
|
1.0
|
OD1
|
A:ASP136
|
4.5
|
23.2
|
1.0
|
H
|
A:ASP136
|
4.6
|
25.2
|
1.0
|
CA
|
A:LYS105
|
4.6
|
16.5
|
1.0
|
N
|
A:GLY144
|
4.6
|
20.2
|
1.0
|
CB
|
A:ASN143
|
4.6
|
21.0
|
1.0
|
HG
|
A:SER201
|
4.6
|
39.1
|
1.0
|
CB
|
A:ASN104
|
4.6
|
23.3
|
1.0
|
HB2
|
A:ASP134
|
4.7
|
31.9
|
1.0
|
CB
|
A:ASN102
|
4.7
|
19.1
|
1.0
|
HB3
|
A:ASP134
|
4.7
|
31.9
|
1.0
|
CA
|
A:ASN102
|
4.7
|
19.1
|
1.0
|
CA
|
A:GLY144
|
4.7
|
19.6
|
1.0
|
OG
|
A:SER201
|
4.8
|
32.6
|
1.0
|
C
|
A:ASN102
|
4.8
|
21.0
|
1.0
|
C
|
A:LYS105
|
4.8
|
19.7
|
1.0
|
HG3
|
A:PRO106
|
4.9
|
19.5
|
1.0
|
HB3
|
A:ASN104
|
4.9
|
27.9
|
1.0
|
CD
|
A:PRO106
|
4.9
|
16.2
|
1.0
|
HD21
|
A:ASN102
|
4.9
|
29.7
|
1.0
|
|
Calcium binding site 4 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 4 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_04.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca304
b:75.1
occ:1.00
|
O
|
A:HOH415
|
2.8
|
50.9
|
1.0
|
HB2
|
A:GLU182
|
3.6
|
0.6
|
1.0
|
OE1
|
A:GLU119
|
3.7
|
0.4
|
1.0
|
OD2
|
A:ASP213
|
3.7
|
0.7
|
1.0
|
HB3
|
A:ARG181
|
3.8
|
0.5
|
1.0
|
OE2
|
A:GLU119
|
4.1
|
0.7
|
1.0
|
OD1
|
A:ASP213
|
4.1
|
0.6
|
1.0
|
H
|
A:GLU182
|
4.1
|
0.6
|
1.0
|
CG
|
A:ASP213
|
4.1
|
0.2
|
1.0
|
CD
|
A:GLU119
|
4.3
|
0.7
|
1.0
|
CB
|
A:GLU182
|
4.5
|
0.7
|
1.0
|
OD1
|
A:ASP180
|
4.6
|
0.6
|
1.0
|
N
|
A:GLU182
|
4.7
|
0.9
|
1.0
|
HB3
|
A:GLU182
|
4.7
|
0.6
|
1.0
|
H
|
A:ARG181
|
4.8
|
0.6
|
1.0
|
CB
|
A:ARG181
|
4.8
|
93.8
|
1.0
|
|
Calcium binding site 5 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 5 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_05.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca301
b:32.2
occ:1.00
|
OD2
|
B:ASP103
|
2.3
|
25.8
|
1.0
|
OE1
|
B:GLU69
|
2.4
|
33.9
|
1.0
|
OE1
|
B:GLU11
|
2.4
|
29.7
|
1.0
|
OD1
|
B:ASP67
|
2.4
|
34.9
|
1.0
|
CG
|
B:ASP67
|
3.2
|
34.9
|
1.0
|
CG
|
B:ASP103
|
3.2
|
34.8
|
1.0
|
HD22
|
B:ASN104
|
3.3
|
52.6
|
1.0
|
OD1
|
B:ASP103
|
3.4
|
42.2
|
1.0
|
HD22
|
B:ASN12
|
3.5
|
31.6
|
1.0
|
CD
|
B:GLU11
|
3.5
|
29.3
|
1.0
|
HB2
|
B:GLU69
|
3.5
|
33.0
|
1.0
|
H
|
B:GLU69
|
3.6
|
50.7
|
1.0
|
CD
|
B:GLU69
|
3.6
|
39.2
|
1.0
|
HA
|
B:ASP67
|
3.6
|
27.7
|
1.0
|
OD2
|
B:ASP67
|
3.7
|
27.6
|
1.0
|
H
|
B:ARG68
|
3.7
|
25.6
|
1.0
|
CA
|
B:CA302
|
4.0
|
33.5
|
1.0
|
OE2
|
B:GLU11
|
4.0
|
29.7
|
1.0
|
ND2
|
B:ASN104
|
4.0
|
43.9
|
1.0
|
HD21
|
B:ASN104
|
4.1
|
52.6
|
1.0
|
OD1
|
B:ASN12
|
4.2
|
36.6
|
1.0
|
CB
|
B:ASP67
|
4.2
|
34.1
|
1.0
|
ND2
|
B:ASN12
|
4.2
|
26.3
|
1.0
|
CA
|
B:ASP67
|
4.3
|
23.1
|
1.0
|
N
|
B:ARG68
|
4.3
|
21.3
|
1.0
|
CB
|
B:GLU69
|
4.3
|
27.5
|
1.0
|
CG
|
B:GLU69
|
4.3
|
32.4
|
1.0
|
HB2
|
B:GLU11
|
4.4
|
31.2
|
1.0
|
HG2
|
B:GLU69
|
4.4
|
38.9
|
1.0
|
N
|
B:GLU69
|
4.4
|
42.2
|
1.0
|
HB2
|
B:ASP67
|
4.4
|
41.0
|
1.0
|
OE2
|
B:GLU69
|
4.5
|
37.9
|
1.0
|
C
|
B:ASP67
|
4.6
|
31.1
|
1.0
|
CB
|
B:ASP103
|
4.6
|
40.5
|
1.0
|
CG
|
B:ASN12
|
4.6
|
26.2
|
1.0
|
HB2
|
B:ASP103
|
4.7
|
48.6
|
1.0
|
CG
|
B:GLU11
|
4.8
|
26.6
|
1.0
|
HD21
|
B:ASN12
|
4.9
|
31.6
|
1.0
|
HB3
|
B:ARG68
|
4.9
|
35.1
|
1.0
|
|
Calcium binding site 6 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 6 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_06.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca302
b:33.5
occ:1.00
|
OD1
|
B:ASP100
|
2.3
|
37.2
|
1.0
|
OD1
|
B:ASP103
|
2.3
|
42.2
|
1.0
|
OE2
|
B:GLU69
|
2.4
|
37.9
|
1.0
|
OE2
|
B:GLU11
|
2.4
|
29.7
|
1.0
|
OE1
|
B:GLU69
|
2.4
|
33.9
|
1.0
|
O
|
B:GLN101
|
2.4
|
35.1
|
1.0
|
OD1
|
B:ASP136
|
2.4
|
42.1
|
1.0
|
CD
|
B:GLU69
|
2.6
|
39.2
|
1.0
|
H
|
B:GLN101
|
3.2
|
46.4
|
1.0
|
H
|
B:ASP103
|
3.3
|
41.0
|
1.0
|
HD21
|
B:ASN104
|
3.3
|
52.6
|
1.0
|
CD
|
B:GLU11
|
3.3
|
29.3
|
1.0
|
CG
|
B:ASP103
|
3.4
|
34.8
|
1.0
|
HA
|
B:ASP136
|
3.5
|
47.6
|
1.0
|
CG
|
B:ASP100
|
3.5
|
44.1
|
1.0
|
OE1
|
B:GLU11
|
3.6
|
29.7
|
1.0
|
CG
|
B:ASP136
|
3.6
|
42.0
|
1.0
|
C
|
B:GLN101
|
3.6
|
38.3
|
1.0
|
HE
|
B:ARG68
|
3.7
|
45.1
|
1.0
|
N
|
B:GLN101
|
3.9
|
38.7
|
1.0
|
OD2
|
B:ASP103
|
3.9
|
25.8
|
1.0
|
ND2
|
B:ASN104
|
3.9
|
43.9
|
1.0
|
CA
|
B:CA301
|
4.0
|
32.2
|
1.0
|
HB3
|
B:ARG68
|
4.0
|
35.1
|
1.0
|
HD22
|
B:ASN104
|
4.0
|
52.6
|
1.0
|
CG
|
B:GLU69
|
4.1
|
32.4
|
1.0
|
OD2
|
B:ASP100
|
4.1
|
50.4
|
1.0
|
HB3
|
B:ASP136
|
4.1
|
56.3
|
1.0
|
N
|
B:ASP103
|
4.1
|
34.1
|
1.0
|
HA
|
B:ASP100
|
4.1
|
52.9
|
1.0
|
CB
|
B:ASP136
|
4.2
|
46.9
|
1.0
|
HG2
|
B:GLU69
|
4.2
|
38.9
|
1.0
|
CA
|
B:ASP136
|
4.3
|
39.6
|
1.0
|
HA
|
B:ASN102
|
4.3
|
47.7
|
1.0
|
CA
|
B:GLN101
|
4.3
|
36.3
|
1.0
|
HG3
|
B:GLU69
|
4.4
|
38.9
|
1.0
|
HB2
|
B:GLN101
|
4.4
|
39.5
|
1.0
|
H
|
B:ASP137
|
4.5
|
60.5
|
1.0
|
OD2
|
B:ASP136
|
4.5
|
38.8
|
1.0
|
H
|
B:GLU69
|
4.6
|
50.7
|
1.0
|
NE
|
B:ARG68
|
4.6
|
37.6
|
1.0
|
HH21
|
B:ARG68
|
4.6
|
64.3
|
1.0
|
CB
|
B:ASP100
|
4.6
|
41.8
|
1.0
|
CB
|
B:ASP103
|
4.7
|
40.5
|
1.0
|
N
|
B:ASN102
|
4.7
|
37.0
|
1.0
|
CA
|
B:ASP100
|
4.7
|
44.0
|
1.0
|
CG
|
B:GLU11
|
4.7
|
26.6
|
1.0
|
H
|
B:ASN104
|
4.7
|
43.0
|
1.0
|
HB2
|
B:ASN104
|
4.8
|
42.6
|
1.0
|
C
|
B:ASP100
|
4.8
|
42.5
|
1.0
|
HG2
|
B:GLU11
|
4.8
|
31.9
|
1.0
|
CA
|
B:ASN102
|
4.8
|
39.8
|
1.0
|
CA
|
B:ASP103
|
4.8
|
31.3
|
1.0
|
CB
|
B:ARG68
|
4.9
|
29.3
|
1.0
|
HD3
|
B:ARG68
|
4.9
|
47.2
|
1.0
|
HB2
|
B:ASP100
|
4.9
|
50.1
|
1.0
|
CB
|
B:GLN101
|
4.9
|
32.9
|
1.0
|
HB3
|
B:ASP103
|
5.0
|
48.6
|
1.0
|
H
|
B:ARG68
|
5.0
|
25.6
|
1.0
|
|
Calcium binding site 7 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 7 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_07.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca303
b:43.5
occ:1.00
|
O
|
B:ASN143
|
2.2
|
43.1
|
1.0
|
OD2
|
B:ASP134
|
2.3
|
63.4
|
1.0
|
OD2
|
B:ASP136
|
2.4
|
38.8
|
1.0
|
OD1
|
B:ASN102
|
2.4
|
37.5
|
1.0
|
O
|
B:ASN104
|
2.5
|
38.9
|
1.0
|
OD1
|
B:ASP134
|
2.5
|
45.4
|
1.0
|
OD2
|
B:ASP195
|
2.5
|
44.8
|
1.0
|
CG
|
B:ASP134
|
2.6
|
47.8
|
1.0
|
HB2
|
B:ASP136
|
3.0
|
56.3
|
1.0
|
HB2
|
B:ASP195
|
3.2
|
58.2
|
1.0
|
HB3
|
B:ASP195
|
3.2
|
58.2
|
1.0
|
CG
|
B:ASP195
|
3.3
|
48.2
|
1.0
|
C
|
B:ASN143
|
3.4
|
46.4
|
1.0
|
HA2
|
B:GLY144
|
3.4
|
66.0
|
1.0
|
CB
|
B:ASP195
|
3.4
|
48.5
|
1.0
|
CG
|
B:ASP136
|
3.4
|
42.0
|
1.0
|
CG
|
B:ASN102
|
3.6
|
38.1
|
1.0
|
C
|
B:ASN104
|
3.7
|
42.5
|
1.0
|
CB
|
B:ASP136
|
3.7
|
46.9
|
1.0
|
HD22
|
B:ASN102
|
3.8
|
54.4
|
1.0
|
H
|
B:ASN104
|
3.9
|
43.0
|
1.0
|
CB
|
B:ASP134
|
4.0
|
41.8
|
1.0
|
HB3
|
B:ASN143
|
4.1
|
49.6
|
1.0
|
HD3
|
B:PRO106
|
4.1
|
55.6
|
1.0
|
HB2
|
B:ASN104
|
4.1
|
42.6
|
1.0
|
HB3
|
B:ASP134
|
4.1
|
50.2
|
1.0
|
ND2
|
B:ASN102
|
4.1
|
45.3
|
1.0
|
HB3
|
B:ASP136
|
4.2
|
56.3
|
1.0
|
HA
|
B:LYS105
|
4.2
|
39.0
|
1.0
|
H
|
B:ASP136
|
4.2
|
48.5
|
1.0
|
HA
|
B:ASN143
|
4.2
|
56.3
|
1.0
|
CA
|
B:GLY144
|
4.2
|
55.0
|
1.0
|
N
|
B:GLY144
|
4.2
|
56.9
|
1.0
|
CA
|
B:ASN143
|
4.3
|
46.9
|
1.0
|
HA
|
B:ASN102
|
4.3
|
47.7
|
1.0
|
HB2
|
B:ASP134
|
4.4
|
50.2
|
1.0
|
OD1
|
B:ASP195
|
4.5
|
55.1
|
1.0
|
CA
|
B:ASN104
|
4.5
|
31.9
|
1.0
|
N
|
B:ASN104
|
4.6
|
35.9
|
1.0
|
OD1
|
B:ASP136
|
4.6
|
42.1
|
1.0
|
N
|
B:LYS105
|
4.6
|
42.8
|
1.0
|
CB
|
B:ASN104
|
4.7
|
35.5
|
1.0
|
HG3
|
B:PRO106
|
4.7
|
49.1
|
1.0
|
CB
|
B:ASN143
|
4.7
|
41.3
|
1.0
|
CA
|
B:LYS105
|
4.7
|
32.5
|
1.0
|
HB3
|
B:ASN104
|
4.8
|
42.6
|
1.0
|
CB
|
B:ASN102
|
4.8
|
31.9
|
1.0
|
HA3
|
B:GLY144
|
4.8
|
66.0
|
1.0
|
N
|
B:ASP136
|
4.9
|
40.4
|
1.0
|
C
|
B:LYS105
|
4.9
|
40.5
|
1.0
|
CD
|
B:PRO106
|
4.9
|
46.3
|
1.0
|
CA
|
B:ASP136
|
4.9
|
39.6
|
1.0
|
CA
|
B:ASP195
|
4.9
|
52.6
|
1.0
|
CA
|
B:ASN102
|
5.0
|
39.8
|
1.0
|
HD21
|
B:ASN102
|
5.0
|
54.4
|
1.0
|
H
|
B:MET196
|
5.0
|
66.0
|
1.0
|
|
Calcium binding site 8 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 8 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_08.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_08_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca301
b:34.1
occ:1.00
|
OD2
|
C:ASP103
|
2.3
|
47.3
|
1.0
|
OD1
|
C:ASP67
|
2.3
|
49.7
|
1.0
|
OE1
|
C:GLU69
|
2.4
|
38.2
|
1.0
|
OE1
|
C:GLU11
|
2.4
|
40.6
|
1.0
|
CG
|
C:ASP67
|
3.1
|
54.2
|
1.0
|
HB2
|
C:GLU69
|
3.2
|
50.7
|
1.0
|
CG
|
C:ASP103
|
3.2
|
40.0
|
1.0
|
H
|
C:GLU69
|
3.3
|
52.1
|
1.0
|
HD22
|
C:ASN12
|
3.4
|
53.9
|
1.0
|
CD
|
C:GLU11
|
3.4
|
37.6
|
1.0
|
OD2
|
C:ASP67
|
3.5
|
49.3
|
1.0
|
CD
|
C:GLU69
|
3.5
|
36.5
|
1.0
|
OD1
|
C:ASP103
|
3.5
|
43.2
|
1.0
|
HD22
|
C:ASN104
|
3.6
|
38.1
|
1.0
|
HA
|
C:ASP67
|
3.7
|
57.2
|
1.0
|
H
|
C:ARG68
|
3.8
|
47.6
|
1.0
|
OE2
|
C:GLU11
|
3.8
|
37.5
|
1.0
|
CB
|
C:GLU69
|
4.0
|
42.2
|
1.0
|
CA
|
C:CA302
|
4.1
|
32.6
|
1.0
|
CG
|
C:GLU69
|
4.1
|
41.0
|
1.0
|
OD1
|
C:ASN12
|
4.1
|
37.6
|
1.0
|
HG2
|
C:GLU69
|
4.1
|
49.2
|
1.0
|
ND2
|
C:ASN12
|
4.1
|
44.9
|
1.0
|
CB
|
C:ASP67
|
4.2
|
55.2
|
1.0
|
N
|
C:GLU69
|
4.2
|
43.4
|
1.0
|
N
|
C:ARG68
|
4.3
|
39.7
|
1.0
|
ND2
|
C:ASN104
|
4.3
|
31.7
|
1.0
|
CA
|
C:ASP67
|
4.3
|
47.7
|
1.0
|
HD21
|
C:ASN104
|
4.3
|
38.1
|
1.0
|
HB2
|
C:ASP67
|
4.4
|
66.2
|
1.0
|
HB2
|
C:GLU11
|
4.4
|
46.0
|
1.0
|
OE2
|
C:GLU69
|
4.5
|
27.9
|
1.0
|
CG
|
C:ASN12
|
4.6
|
38.9
|
1.0
|
C
|
C:ASP67
|
4.6
|
45.1
|
1.0
|
CB
|
C:ASP103
|
4.6
|
29.0
|
1.0
|
HB3
|
C:GLU69
|
4.7
|
50.7
|
1.0
|
HB2
|
C:ASP103
|
4.7
|
34.8
|
1.0
|
CG
|
C:GLU11
|
4.7
|
35.0
|
1.0
|
CA
|
C:GLU69
|
4.7
|
40.0
|
1.0
|
HD21
|
C:ASN12
|
4.8
|
53.9
|
1.0
|
HB3
|
C:ARG68
|
4.8
|
46.3
|
1.0
|
HG3
|
C:GLU11
|
4.9
|
42.0
|
1.0
|
HB3
|
C:ASP67
|
5.0
|
66.2
|
1.0
|
HB3
|
C:ASP103
|
5.0
|
34.8
|
1.0
|
|
Calcium binding site 9 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 9 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_09.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_09_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca302
b:32.6
occ:1.00
|
OE2
|
C:GLU11
|
2.3
|
37.5
|
1.0
|
OD1
|
C:ASP100
|
2.3
|
24.5
|
1.0
|
OD1
|
C:ASP103
|
2.4
|
43.2
|
1.0
|
OE1
|
C:GLU69
|
2.4
|
38.2
|
1.0
|
OD1
|
C:ASP136
|
2.4
|
31.9
|
1.0
|
OE2
|
C:GLU69
|
2.4
|
27.9
|
1.0
|
O
|
C:GLN101
|
2.5
|
29.3
|
1.0
|
CD
|
C:GLU69
|
2.7
|
36.5
|
1.0
|
HD21
|
C:ASN104
|
3.2
|
38.1
|
1.0
|
H
|
C:GLN101
|
3.3
|
42.9
|
1.0
|
H
|
C:ASP103
|
3.3
|
31.2
|
1.0
|
CD
|
C:GLU11
|
3.4
|
37.6
|
1.0
|
CG
|
C:ASP100
|
3.4
|
28.4
|
1.0
|
HE
|
C:ARG68
|
3.5
|
43.8
|
1.0
|
CG
|
C:ASP103
|
3.5
|
40.0
|
1.0
|
HA
|
C:ASP136
|
3.5
|
29.1
|
1.0
|
CG
|
C:ASP136
|
3.6
|
27.9
|
1.0
|
C
|
C:GLN101
|
3.6
|
31.2
|
1.0
|
OE1
|
C:GLU11
|
3.8
|
40.6
|
1.0
|
OD2
|
C:ASP100
|
3.9
|
30.0
|
1.0
|
ND2
|
C:ASN104
|
3.9
|
31.7
|
1.0
|
N
|
C:GLN101
|
3.9
|
35.7
|
1.0
|
HD22
|
C:ASN104
|
4.0
|
38.1
|
1.0
|
HB3
|
C:ARG68
|
4.0
|
46.3
|
1.0
|
OD2
|
C:ASP103
|
4.0
|
47.3
|
1.0
|
HH21
|
C:ARG68
|
4.0
|
41.9
|
1.0
|
CA
|
C:CA301
|
4.1
|
34.1
|
1.0
|
N
|
C:ASP103
|
4.1
|
26.0
|
1.0
|
CG
|
C:GLU69
|
4.1
|
41.0
|
1.0
|
HB3
|
C:ASP136
|
4.2
|
24.2
|
1.0
|
HA
|
C:ASP100
|
4.3
|
39.1
|
1.0
|
CB
|
C:ASP136
|
4.3
|
20.2
|
1.0
|
HA
|
C:ASN102
|
4.3
|
29.2
|
1.0
|
NE
|
C:ARG68
|
4.3
|
36.5
|
1.0
|
CA
|
C:ASP136
|
4.3
|
24.3
|
1.0
|
HG2
|
C:GLU69
|
4.3
|
49.2
|
1.0
|
HB2
|
C:GLN101
|
4.4
|
33.7
|
1.0
|
CA
|
C:GLN101
|
4.4
|
30.8
|
1.0
|
H
|
C:ASP137
|
4.5
|
31.8
|
1.0
|
HG3
|
C:GLU69
|
4.5
|
49.2
|
1.0
|
OD2
|
C:ASP136
|
4.6
|
29.8
|
1.0
|
H
|
C:GLU69
|
4.6
|
52.1
|
1.0
|
CB
|
C:ASP100
|
4.6
|
29.6
|
1.0
|
N
|
C:ASN102
|
4.7
|
26.1
|
1.0
|
CG
|
C:GLU11
|
4.7
|
35.0
|
1.0
|
CB
|
C:ASP103
|
4.7
|
29.0
|
1.0
|
HG2
|
C:GLU11
|
4.7
|
42.0
|
1.0
|
H
|
C:ASN104
|
4.7
|
35.2
|
1.0
|
CA
|
C:ASP100
|
4.8
|
32.6
|
1.0
|
HB2
|
C:ASN104
|
4.8
|
37.9
|
1.0
|
NH2
|
C:ARG68
|
4.8
|
34.9
|
1.0
|
C
|
C:ASP100
|
4.8
|
31.9
|
1.0
|
CA
|
C:ASN102
|
4.9
|
24.3
|
1.0
|
CA
|
C:ASP103
|
4.9
|
28.6
|
1.0
|
HD3
|
C:ARG68
|
4.9
|
45.6
|
1.0
|
CB
|
C:GLN101
|
4.9
|
28.1
|
1.0
|
CB
|
C:ARG68
|
4.9
|
38.6
|
1.0
|
HB3
|
C:ASP103
|
5.0
|
34.8
|
1.0
|
HB2
|
C:ASP100
|
5.0
|
35.6
|
1.0
|
|
Calcium binding site 10 out
of 14 in 4nqq
Go back to
Calcium Binding Sites List in 4nqq
Calcium binding site 10 out
of 14 in the Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_10.jpg) Mono view
![](/pictures/CA/pdb/nq/4nqq-CA-sphere_10_stereo.jpg) Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Crystal Structure of Mouse P-Cadherin Extracellular Domains EC1-EC2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca303
b:25.4
occ:1.00
|
O
|
C:ASN104
|
2.3
|
23.1
|
1.0
|
OD2
|
C:ASP136
|
2.3
|
29.8
|
1.0
|
OD2
|
C:ASP134
|
2.4
|
33.9
|
1.0
|
O
|
C:ASN143
|
2.4
|
15.7
|
1.0
|
OD1
|
C:ASN102
|
2.4
|
26.1
|
1.0
|
OD1
|
C:ASP134
|
2.4
|
28.7
|
1.0
|
OD2
|
C:ASP195
|
2.4
|
25.6
|
1.0
|
CG
|
C:ASP134
|
2.7
|
24.5
|
1.0
|
HB2
|
C:ASP136
|
3.3
|
24.2
|
1.0
|
HB3
|
C:ASP195
|
3.3
|
20.7
|
1.0
|
HB2
|
C:ASP195
|
3.3
|
20.7
|
1.0
|
CG
|
C:ASP195
|
3.3
|
22.4
|
1.0
|
CG
|
C:ASP136
|
3.4
|
27.9
|
1.0
|
CB
|
C:ASP195
|
3.5
|
17.3
|
1.0
|
CG
|
C:ASN102
|
3.5
|
26.8
|
1.0
|
C
|
C:ASN104
|
3.5
|
23.1
|
1.0
|
C
|
C:ASN143
|
3.6
|
20.8
|
1.0
|
HD22
|
C:ASN102
|
3.8
|
38.9
|
1.0
|
HA2
|
C:GLY144
|
3.8
|
27.8
|
1.0
|
H
|
C:ASN104
|
3.8
|
35.2
|
1.0
|
CB
|
C:ASP136
|
3.8
|
20.2
|
1.0
|
HD3
|
C:PRO106
|
3.9
|
35.7
|
1.0
|
HA
|
C:LYS105
|
3.9
|
33.2
|
1.0
|
HB3
|
C:ASN143
|
4.0
|
33.6
|
1.0
|
HB2
|
C:ASN104
|
4.0
|
37.9
|
1.0
|
ND2
|
C:ASN102
|
4.1
|
32.4
|
1.0
|
CB
|
C:ASP134
|
4.2
|
23.4
|
1.0
|
HA
|
C:ASN143
|
4.2
|
32.2
|
1.0
|
HA
|
C:ASN102
|
4.3
|
29.2
|
1.0
|
H
|
C:ASP136
|
4.3
|
30.1
|
1.0
|
HB3
|
C:ASP136
|
4.3
|
24.2
|
1.0
|
CA
|
C:ASN143
|
4.4
|
26.9
|
1.0
|
CA
|
C:ASN104
|
4.4
|
23.1
|
1.0
|
N
|
C:ASN104
|
4.5
|
29.3
|
1.0
|
OD1
|
C:ASP195
|
4.5
|
29.7
|
1.0
|
N
|
C:LYS105
|
4.5
|
25.4
|
1.0
|
HB2
|
C:ASP134
|
4.5
|
28.1
|
1.0
|
N
|
C:GLY144
|
4.5
|
20.6
|
1.0
|
OD1
|
C:ASP136
|
4.5
|
31.9
|
1.0
|
CA
|
C:LYS105
|
4.5
|
27.7
|
1.0
|
HB3
|
C:ASP134
|
4.5
|
28.1
|
1.0
|
HG3
|
C:PRO106
|
4.5
|
29.6
|
1.0
|
CA
|
C:GLY144
|
4.6
|
23.2
|
1.0
|
CB
|
C:ASN104
|
4.6
|
31.6
|
1.0
|
CB
|
C:ASN143
|
4.7
|
28.0
|
1.0
|
C
|
C:LYS105
|
4.7
|
25.6
|
1.0
|
CD
|
C:PRO106
|
4.7
|
29.8
|
1.0
|
HB3
|
C:ASN104
|
4.7
|
37.9
|
1.0
|
CB
|
C:ASN102
|
4.8
|
25.2
|
1.0
|
N
|
C:PRO106
|
4.8
|
27.7
|
1.0
|
CA
|
C:ASN102
|
4.9
|
24.3
|
1.0
|
HG
|
C:SER201
|
4.9
|
28.8
|
1.0
|
HD21
|
C:ASN102
|
5.0
|
38.9
|
1.0
|
N
|
C:ASP136
|
5.0
|
25.1
|
1.0
|
HA
|
C:ASP134
|
5.0
|
31.8
|
1.0
|
|
Reference:
J.Vendome,
K.Felsovalyi,
H.Song,
Z.Yang,
X.Jin,
J.Brasch,
O.J.Harrison,
G.Ahlsen,
F.Bahna,
A.Kaczynska,
P.S.Katsamba,
D.Edmond,
W.L.Hubbell,
L.Shapiro,
B.Honig.
Structural and Energetic Determinants of Adhesive Binding Specificity in Type I Cadherins. Proc.Natl.Acad.Sci.Usa V. 111 E4175 2014.
ISSN: ISSN 0027-8424
PubMed: 25253890
DOI: 10.1073/PNAS.1416737111
Page generated: Sun Jul 14 11:08:25 2024
|