Calcium in PDB 4axw: Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
Protein crystallography data
The structure of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A., PDB code: 4axw
was solved by
M.Sotomayor,
W.Weihofen,
R.Gaudet,
D.P.Corey,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.08 /
2.23
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
173.649,
40.468,
85.187,
90.00,
102.92,
90.00
|
R / Rfree (%)
|
17.459 /
23.634
|
Other elements in 4axw:
The structure of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A. also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
(pdb code 4axw). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the
Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A., PDB code: 4axw:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
Calcium binding site 1 out
of 7 in 4axw
Go back to
Calcium Binding Sites List in 4axw
Calcium binding site 1 out
of 7 in the Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1209
b:22.7
occ:1.00
|
OD2
|
A:ASP41
|
2.2
|
19.7
|
1.0
|
O
|
A:ARG5
|
2.3
|
30.3
|
1.0
|
OD2
|
A:ASP39
|
2.3
|
26.4
|
1.0
|
OD2
|
A:ASP87
|
2.3
|
20.4
|
1.0
|
OD1
|
A:ASN4
|
2.4
|
20.8
|
1.0
|
OD1
|
A:ASP37
|
2.5
|
24.2
|
1.0
|
OD2
|
A:ASP37
|
2.5
|
24.1
|
1.0
|
CG
|
A:ASP37
|
2.9
|
25.1
|
1.0
|
CG
|
A:ASN4
|
3.3
|
27.1
|
1.0
|
CG
|
A:ASP41
|
3.3
|
19.2
|
1.0
|
CG
|
A:ASP87
|
3.4
|
25.6
|
1.0
|
CG
|
A:ASP39
|
3.4
|
28.0
|
1.0
|
C
|
A:ARG5
|
3.5
|
28.8
|
1.0
|
ND2
|
A:ASN4
|
3.6
|
20.7
|
1.0
|
CB
|
A:ASP39
|
3.8
|
25.5
|
1.0
|
CB
|
A:ASP87
|
3.8
|
22.4
|
1.0
|
N
|
A:ARG5
|
4.0
|
29.0
|
1.0
|
CB
|
A:ASP41
|
4.0
|
20.8
|
1.0
|
CA
|
A:ARG5
|
4.2
|
29.6
|
1.0
|
OD1
|
A:ASP41
|
4.3
|
20.0
|
1.0
|
O
|
A:HOH2059
|
4.4
|
28.4
|
1.0
|
CB
|
A:ASP37
|
4.4
|
22.0
|
1.0
|
O
|
A:HOH2008
|
4.4
|
38.4
|
1.0
|
N
|
A:LEU6
|
4.5
|
28.6
|
1.0
|
OD1
|
A:ASP87
|
4.5
|
25.0
|
1.0
|
OD1
|
A:ASP39
|
4.5
|
28.3
|
1.0
|
CA
|
A:LEU6
|
4.6
|
27.6
|
1.0
|
CB
|
A:ASN4
|
4.7
|
28.6
|
1.0
|
N
|
A:ASP39
|
4.7
|
26.7
|
1.0
|
C
|
A:ASN4
|
4.8
|
29.6
|
1.0
|
C
|
A:LEU6
|
4.8
|
26.1
|
1.0
|
CB
|
A:ARG5
|
4.8
|
29.3
|
1.0
|
CA
|
A:ASP39
|
4.9
|
25.8
|
1.0
|
N
|
A:PRO7
|
4.9
|
22.3
|
1.0
|
CA
|
A:ASN4
|
4.9
|
29.4
|
1.0
|
CD
|
A:PRO7
|
5.0
|
23.0
|
1.0
|
|
Calcium binding site 2 out
of 7 in 4axw
Go back to
Calcium Binding Sites List in 4axw
Calcium binding site 2 out
of 7 in the Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1210
b:16.8
occ:1.00
|
OE2
|
A:GLU22
|
2.3
|
21.0
|
1.0
|
O
|
A:VAL103
|
2.3
|
19.5
|
1.0
|
OD1
|
A:ASP105
|
2.3
|
17.6
|
1.0
|
OD1
|
A:ASP102
|
2.3
|
18.1
|
1.0
|
OE2
|
A:GLU74
|
2.4
|
22.3
|
1.0
|
OD1
|
A:ASP138
|
2.4
|
13.6
|
1.0
|
OE1
|
A:GLU74
|
2.7
|
18.8
|
1.0
|
CD
|
A:GLU74
|
2.9
|
22.6
|
1.0
|
CG
|
A:ASP102
|
3.3
|
22.1
|
1.0
|
CG
|
A:ASP105
|
3.4
|
23.6
|
1.0
|
CD
|
A:GLU22
|
3.4
|
23.8
|
1.0
|
C
|
A:VAL103
|
3.5
|
20.2
|
1.0
|
CG
|
A:ASP138
|
3.6
|
16.9
|
1.0
|
OD2
|
A:ASP102
|
3.8
|
19.6
|
1.0
|
N
|
A:VAL103
|
3.9
|
21.0
|
1.0
|
N
|
A:ASP105
|
3.9
|
21.5
|
1.0
|
OE1
|
A:GLU22
|
3.9
|
23.7
|
1.0
|
CA
|
A:CA1211
|
3.9
|
23.2
|
1.0
|
OD2
|
A:ASP105
|
4.0
|
22.7
|
1.0
|
ND2
|
A:ASN106
|
4.1
|
21.5
|
1.0
|
CB
|
A:ASP138
|
4.2
|
15.9
|
1.0
|
CA
|
A:VAL103
|
4.3
|
19.6
|
1.0
|
CG
|
A:GLU74
|
4.3
|
22.7
|
1.0
|
CA
|
A:ASP138
|
4.4
|
16.6
|
1.0
|
N
|
A:ASN104
|
4.5
|
19.7
|
1.0
|
NE
|
A:ARG73
|
4.5
|
20.3
|
1.0
|
CB
|
A:ASP102
|
4.6
|
20.7
|
1.0
|
CA
|
A:ASN104
|
4.6
|
20.2
|
1.0
|
CA
|
A:ASP102
|
4.6
|
21.1
|
1.0
|
OD2
|
A:ASP138
|
4.6
|
16.4
|
1.0
|
CB
|
A:ASP105
|
4.6
|
21.7
|
1.0
|
C
|
A:ASN104
|
4.7
|
20.9
|
1.0
|
CG
|
A:GLU22
|
4.7
|
21.6
|
1.0
|
CA
|
A:ASP105
|
4.7
|
21.1
|
1.0
|
C
|
A:ASP102
|
4.7
|
21.6
|
1.0
|
CG2
|
A:VAL103
|
4.9
|
20.3
|
1.0
|
NH2
|
A:ARG73
|
5.0
|
21.4
|
1.0
|
|
Calcium binding site 3 out
of 7 in 4axw
Go back to
Calcium Binding Sites List in 4axw
Calcium binding site 3 out
of 7 in the Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1211
b:23.2
occ:1.00
|
OD1
|
A:ASP72
|
2.2
|
24.3
|
1.0
|
OE1
|
A:GLU74
|
2.3
|
18.8
|
1.0
|
O
|
A:HOH2086
|
2.3
|
20.1
|
1.0
|
OE1
|
A:GLU22
|
2.3
|
23.7
|
1.0
|
OD2
|
A:ASP105
|
2.4
|
22.7
|
1.0
|
O
|
A:HOH2037
|
2.4
|
25.0
|
1.0
|
OD1
|
A:ASP105
|
3.0
|
17.6
|
1.0
|
CG
|
A:ASP105
|
3.0
|
23.6
|
1.0
|
CD
|
A:GLU22
|
3.2
|
23.8
|
1.0
|
CG
|
A:ASP72
|
3.3
|
27.4
|
1.0
|
OE2
|
A:GLU22
|
3.5
|
21.0
|
1.0
|
CD
|
A:GLU74
|
3.5
|
22.6
|
1.0
|
CA
|
A:CA1210
|
3.9
|
16.8
|
1.0
|
OD2
|
A:ASP72
|
4.0
|
29.6
|
1.0
|
CA
|
A:ASP72
|
4.1
|
25.4
|
1.0
|
CB
|
A:ASP72
|
4.2
|
26.0
|
1.0
|
ND2
|
A:ASN106
|
4.2
|
21.5
|
1.0
|
N
|
A:ARG73
|
4.2
|
24.8
|
1.0
|
O
|
A:HOH2101
|
4.2
|
40.3
|
1.0
|
O
|
A:HOH2085
|
4.3
|
33.9
|
1.0
|
OE2
|
A:GLU74
|
4.4
|
22.3
|
1.0
|
CG
|
A:GLU74
|
4.4
|
22.7
|
1.0
|
N
|
A:GLU74
|
4.4
|
26.1
|
1.0
|
O
|
A:HOH2035
|
4.4
|
32.1
|
1.0
|
C
|
A:ASP72
|
4.4
|
25.1
|
1.0
|
CB
|
A:GLU74
|
4.4
|
27.2
|
1.0
|
CG
|
A:GLU22
|
4.5
|
21.6
|
1.0
|
CB
|
A:ASP105
|
4.5
|
21.7
|
1.0
|
O
|
A:HOH2102
|
4.5
|
35.0
|
1.0
|
|
Calcium binding site 4 out
of 7 in 4axw
Go back to
Calcium Binding Sites List in 4axw
Calcium binding site 4 out
of 7 in the Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1212
b:14.9
occ:1.00
|
OD2
|
A:ASP187
|
2.3
|
16.6
|
1.0
|
O
|
A:ASN106
|
2.3
|
18.9
|
1.0
|
OD2
|
A:ASP136
|
2.3
|
14.9
|
1.0
|
OD2
|
A:ASP138
|
2.3
|
16.4
|
1.0
|
OD1
|
A:ASN104
|
2.3
|
15.9
|
1.0
|
O
|
A:GLY142
|
2.4
|
18.7
|
1.0
|
OD1
|
A:ASP136
|
2.5
|
13.3
|
1.0
|
CG
|
A:ASP136
|
2.7
|
19.2
|
1.0
|
CG
|
A:ASP187
|
3.3
|
18.4
|
1.0
|
CG
|
A:ASP138
|
3.3
|
16.9
|
1.0
|
C
|
A:ASN106
|
3.4
|
18.6
|
1.0
|
CG
|
A:ASN104
|
3.5
|
21.3
|
1.0
|
C
|
A:GLY142
|
3.6
|
18.4
|
1.0
|
CB
|
A:ASP138
|
3.7
|
15.9
|
1.0
|
CB
|
A:ASP187
|
3.7
|
17.7
|
1.0
|
ND2
|
A:ASN104
|
3.9
|
14.7
|
1.0
|
N
|
A:ASN106
|
4.1
|
19.7
|
1.0
|
CA
|
A:ASN106
|
4.2
|
18.6
|
1.0
|
CB
|
A:ASP136
|
4.2
|
18.4
|
1.0
|
CA
|
A:GLY142
|
4.3
|
18.4
|
1.0
|
CB
|
A:ASN106
|
4.3
|
19.0
|
1.0
|
OD1
|
A:ASP187
|
4.4
|
17.2
|
1.0
|
N
|
A:ALA107
|
4.4
|
18.3
|
1.0
|
OD1
|
A:ASP138
|
4.5
|
13.6
|
1.0
|
CA
|
A:ALA107
|
4.6
|
16.9
|
1.0
|
N
|
A:GLY143
|
4.6
|
19.5
|
1.0
|
N
|
A:ASP138
|
4.7
|
16.5
|
1.0
|
CB
|
A:ASN104
|
4.7
|
18.6
|
1.0
|
CA
|
A:ASP138
|
4.8
|
16.6
|
1.0
|
C
|
A:ALA107
|
4.8
|
16.2
|
1.0
|
CA
|
A:GLY143
|
4.8
|
19.2
|
1.0
|
CD1
|
A:LEU194
|
4.9
|
17.2
|
1.0
|
CA
|
A:ASN104
|
5.0
|
20.2
|
1.0
|
|
Calcium binding site 5 out
of 7 in 4axw
Go back to
Calcium Binding Sites List in 4axw
Calcium binding site 5 out
of 7 in the Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1237
b:21.8
occ:1.00
|
OD1
|
B:ASN120
|
2.2
|
31.7
|
1.0
|
OD2
|
B:ASP157
|
2.3
|
20.8
|
1.0
|
O
|
B:ASN163
|
2.3
|
19.9
|
1.0
|
O
|
B:ASN122
|
2.3
|
22.6
|
1.0
|
OD2
|
B:ASP215
|
2.4
|
19.6
|
1.0
|
OD2
|
B:ASP159
|
2.6
|
22.0
|
1.0
|
OD1
|
B:ASP157
|
2.6
|
24.4
|
1.0
|
CG
|
B:ASP157
|
2.7
|
22.7
|
1.0
|
CG
|
B:ASN120
|
3.3
|
29.5
|
1.0
|
C
|
B:ASN122
|
3.4
|
23.8
|
1.0
|
CG
|
B:ASP215
|
3.5
|
22.4
|
1.0
|
C
|
B:ASN163
|
3.5
|
21.9
|
1.0
|
CG
|
B:ASP159
|
3.6
|
27.3
|
1.0
|
ND2
|
B:ASN120
|
3.8
|
29.0
|
1.0
|
CB
|
B:ASP215
|
3.8
|
19.2
|
1.0
|
CB
|
B:ASP159
|
3.9
|
26.3
|
1.0
|
CA
|
B:ASN122
|
4.2
|
24.7
|
1.0
|
CB
|
B:ASP157
|
4.2
|
24.0
|
1.0
|
N
|
B:ASN122
|
4.3
|
25.8
|
1.0
|
CA
|
B:ASN163
|
4.3
|
22.4
|
1.0
|
CB
|
B:ASN122
|
4.4
|
23.9
|
1.0
|
N
|
B:GLY164
|
4.4
|
22.5
|
1.0
|
CB
|
B:ASN163
|
4.5
|
22.8
|
1.0
|
N
|
B:SER123
|
4.5
|
24.3
|
1.0
|
OD1
|
B:ASP215
|
4.5
|
23.8
|
1.0
|
CB
|
B:ASN120
|
4.6
|
27.8
|
1.0
|
CA
|
B:GLY164
|
4.6
|
23.1
|
1.0
|
CA
|
B:ASN120
|
4.7
|
27.4
|
1.0
|
CA
|
B:SER123
|
4.7
|
25.2
|
1.0
|
OD1
|
B:ASP159
|
4.8
|
24.7
|
1.0
|
CG
|
B:ARG224
|
4.9
|
33.7
|
1.0
|
C
|
B:ASN120
|
4.9
|
27.5
|
1.0
|
N
|
B:ASP159
|
4.9
|
25.7
|
1.0
|
C
|
B:SER123
|
5.0
|
24.7
|
1.0
|
|
Calcium binding site 6 out
of 7 in 4axw
Go back to
Calcium Binding Sites List in 4axw
Calcium binding site 6 out
of 7 in the Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1238
b:28.6
occ:1.00
|
OD2
|
B:ASP85
|
2.3
|
19.9
|
1.0
|
OD1
|
B:ASP83
|
2.3
|
29.0
|
1.0
|
OE1
|
B:GLU27
|
2.4
|
22.6
|
1.0
|
OD2
|
B:ASP121
|
2.4
|
31.9
|
1.0
|
OE2
|
B:GLU28
|
2.4
|
30.8
|
1.0
|
O
|
B:HOH2058
|
2.6
|
30.4
|
1.0
|
CG
|
B:ASP121
|
3.3
|
28.3
|
1.0
|
CG
|
B:ASP85
|
3.4
|
24.9
|
1.0
|
CG
|
B:ASP83
|
3.4
|
30.2
|
1.0
|
CD
|
B:GLU27
|
3.4
|
26.5
|
1.0
|
OD1
|
B:ASP121
|
3.5
|
26.0
|
1.0
|
CD
|
B:GLU28
|
3.5
|
37.7
|
1.0
|
CG
|
B:GLU28
|
3.9
|
36.0
|
1.0
|
OE2
|
B:GLU27
|
3.9
|
24.1
|
1.0
|
CA
|
B:CA1239
|
4.0
|
23.2
|
1.0
|
CB
|
B:ASP85
|
4.0
|
26.2
|
1.0
|
ND2
|
B:ASN122
|
4.1
|
21.7
|
1.0
|
OD2
|
B:ASP83
|
4.1
|
35.4
|
1.0
|
CA
|
B:ASP83
|
4.3
|
28.1
|
1.0
|
N
|
B:ASP85
|
4.3
|
25.0
|
1.0
|
CB
|
B:ASP83
|
4.3
|
28.7
|
1.0
|
OD1
|
B:ASP85
|
4.3
|
22.4
|
1.0
|
N
|
B:ARG84
|
4.4
|
24.4
|
1.0
|
O
|
B:HOH2057
|
4.5
|
28.3
|
1.0
|
O
|
B:HOH2016
|
4.5
|
43.2
|
1.0
|
OE1
|
B:GLU28
|
4.6
|
43.0
|
1.0
|
CG
|
B:GLU27
|
4.6
|
27.0
|
1.0
|
C
|
B:ASP83
|
4.7
|
26.2
|
1.0
|
CB
|
B:ASP121
|
4.7
|
29.2
|
1.0
|
CA
|
B:ASP85
|
4.8
|
26.1
|
1.0
|
|
Calcium binding site 7 out
of 7 in 4axw
Go back to
Calcium Binding Sites List in 4axw
Calcium binding site 7 out
of 7 in the Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of Mouse Cadherin-23 EC1-2 and Protocadherin-15 EC1-2, Form I 2.2A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1239
b:23.2
occ:1.00
|
OD1
|
B:ASP159
|
2.2
|
24.7
|
1.0
|
OE2
|
B:GLU27
|
2.3
|
24.1
|
1.0
|
OD1
|
B:ASP118
|
2.3
|
23.6
|
1.0
|
OD1
|
B:ASP85
|
2.3
|
22.4
|
1.0
|
OD1
|
B:ASP121
|
2.4
|
26.0
|
1.0
|
OD2
|
B:ASP85
|
2.5
|
19.9
|
1.0
|
O
|
B:ARG119
|
2.5
|
25.7
|
1.0
|
CG
|
B:ASP85
|
2.8
|
24.9
|
1.0
|
CD
|
B:GLU27
|
3.3
|
26.5
|
1.0
|
CG
|
B:ASP159
|
3.3
|
27.3
|
1.0
|
CG
|
B:ASP118
|
3.4
|
24.4
|
1.0
|
CG
|
B:ASP121
|
3.5
|
28.3
|
1.0
|
OE1
|
B:GLU27
|
3.6
|
22.6
|
1.0
|
C
|
B:ARG119
|
3.6
|
26.4
|
1.0
|
N
|
B:ARG119
|
3.8
|
24.1
|
1.0
|
ND2
|
B:ASN122
|
3.9
|
21.7
|
1.0
|
OD2
|
B:ASP121
|
4.0
|
31.9
|
1.0
|
CA
|
B:CA1238
|
4.0
|
28.6
|
1.0
|
CB
|
B:ASP159
|
4.0
|
26.3
|
1.0
|
OD2
|
B:ASP118
|
4.0
|
24.3
|
1.0
|
OD2
|
B:ASP159
|
4.3
|
22.0
|
1.0
|
N
|
B:ASP121
|
4.3
|
28.2
|
1.0
|
CB
|
B:ASP85
|
4.3
|
26.2
|
1.0
|
CA
|
B:ARG119
|
4.3
|
27.0
|
1.0
|
CA
|
B:ASP159
|
4.3
|
26.0
|
1.0
|
O
|
B:HOH2059
|
4.5
|
37.2
|
1.0
|
CB
|
B:ASP118
|
4.6
|
22.6
|
1.0
|
CA
|
B:ASP118
|
4.6
|
23.5
|
1.0
|
CG
|
B:GLU27
|
4.6
|
27.0
|
1.0
|
C
|
B:ASP118
|
4.6
|
23.6
|
1.0
|
N
|
B:ASN120
|
4.7
|
27.8
|
1.0
|
CB
|
B:ARG119
|
4.7
|
28.8
|
1.0
|
CB
|
B:ASP121
|
4.8
|
29.2
|
1.0
|
CA
|
B:ASN120
|
4.9
|
27.4
|
1.0
|
|
Reference:
M.Sotomayor,
W.Weihofen,
R.Gaudet,
D.P.Corey.
Structure of A Force-Conveying Cadherin Bond Essential For Inner-Ear Mechanotransduction Nature V. 492 128 2012.
ISSN: ISSN 0028-0836
PubMed: 23135401
DOI: 10.1038/NATURE11590
Page generated: Sat Jul 13 22:25:29 2024
|