Calcium in PDB 8sjc: Crystal Structure of ZN2+ Bound Calprotectin
Protein crystallography data
The structure of Crystal Structure of ZN2+ Bound Calprotectin, PDB code: 8sjc
was solved by
Y.R.Perera,
V.Garcia,
R.M.Guillen,
W.J.Chazin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.63 /
1.87
|
|
Space group
|
P 61
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
114.611,
114.611,
53.182,
90,
90,
120
|
|
R / Rfree (%)
|
16.5 /
19.7
|
Other elements in 8sjc:
The structure of Crystal Structure of ZN2+ Bound Calprotectin also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of ZN2+ Bound Calprotectin
(pdb code 8sjc). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the
Crystal Structure of ZN2+ Bound Calprotectin, PDB code: 8sjc:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Calcium binding site 1 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 1 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 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 ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca102
b:19.3
occ:1.00
|
O
|
A:HOH202
|
2.3
|
17.7
|
1.0
|
|
O
|
A:ALA65
|
2.3
|
20.6
|
1.0
|
|
OD1
|
A:ASN61
|
2.3
|
20.9
|
1.0
|
|
OD1
|
A:ASP59
|
2.4
|
21.1
|
1.0
|
|
OD1
|
A:ASP63
|
2.4
|
20.3
|
1.0
|
|
OE2
|
A:GLU70
|
2.4
|
26.4
|
1.0
|
|
OE1
|
A:GLU70
|
2.5
|
23.4
|
1.0
|
|
CD
|
A:GLU70
|
2.8
|
23.7
|
1.0
|
|
HA
|
A:ASP59
|
3.2
|
32.7
|
1.0
|
|
CG
|
A:ASP63
|
3.3
|
24.6
|
1.0
|
|
CG
|
A:ASP59
|
3.5
|
25.6
|
1.0
|
|
CG
|
A:ASN61
|
3.5
|
22.3
|
1.0
|
|
H
|
A:ALA65
|
3.5
|
25.3
|
1.0
|
|
C
|
A:ALA65
|
3.5
|
24.6
|
1.0
|
|
H
|
A:ASP63
|
3.6
|
25.1
|
1.0
|
|
OD2
|
A:ASP63
|
3.6
|
22.6
|
1.0
|
|
H
|
A:ASN61
|
3.6
|
24.4
|
1.0
|
|
HD21
|
A:ASN61
|
3.7
|
30.8
|
1.0
|
|
HA
|
A:VAL66
|
3.8
|
21.7
|
1.0
|
|
H
|
A:ASN67
|
3.9
|
23.9
|
1.0
|
|
ND2
|
A:ASN61
|
4.0
|
25.6
|
1.0
|
|
CA
|
A:ASP59
|
4.0
|
27.2
|
1.0
|
|
CB
|
A:ASP59
|
4.2
|
18.2
|
1.0
|
|
N
|
A:ALA65
|
4.2
|
21.1
|
1.0
|
|
HG21
|
D:THR64
|
4.3
|
29.0
|
1.0
|
|
H
|
A:ILE60
|
4.3
|
21.9
|
1.0
|
|
CG
|
A:GLU70
|
4.3
|
22.4
|
1.0
|
|
OD2
|
A:ASP59
|
4.3
|
21.3
|
1.0
|
|
N
|
A:ASP63
|
4.4
|
20.9
|
1.0
|
|
HB2
|
A:ASP59
|
4.4
|
21.9
|
1.0
|
|
C
|
A:ASP59
|
4.4
|
24.7
|
1.0
|
|
N
|
A:VAL66
|
4.4
|
21.0
|
1.0
|
|
N
|
A:ASN61
|
4.5
|
20.3
|
1.0
|
|
CA
|
A:ALA65
|
4.5
|
19.5
|
1.0
|
|
CB
|
A:ASP63
|
4.5
|
19.3
|
1.0
|
|
CA
|
A:VAL66
|
4.5
|
18.1
|
1.0
|
|
N
|
A:ILE60
|
4.5
|
18.2
|
1.0
|
|
N
|
A:ASN67
|
4.6
|
19.9
|
1.0
|
|
HB3
|
A:ALA65
|
4.6
|
26.4
|
1.0
|
|
H
|
A:THR62
|
4.6
|
23.8
|
1.0
|
|
HG3
|
A:GLU70
|
4.7
|
26.9
|
1.0
|
|
HB3
|
A:ASP63
|
4.7
|
23.2
|
1.0
|
|
HG2
|
A:GLU70
|
4.7
|
26.9
|
1.0
|
|
CB
|
A:ASN61
|
4.7
|
17.7
|
1.0
|
|
HB3
|
A:ASN67
|
4.7
|
17.7
|
1.0
|
|
H
|
A:GLY64
|
4.7
|
27.0
|
1.0
|
|
HG12
|
A:ILE60
|
4.8
|
24.1
|
1.0
|
|
HD22
|
A:ASN61
|
4.8
|
30.8
|
1.0
|
|
CA
|
A:ASP63
|
4.8
|
21.0
|
1.0
|
|
N
|
A:THR62
|
4.8
|
19.8
|
1.0
|
|
HG1
|
D:THR64
|
4.9
|
29.6
|
1.0
|
|
HB2
|
A:GLU70
|
4.9
|
22.4
|
1.0
|
|
CA
|
A:ASN61
|
5.0
|
20.6
|
1.0
|
|
HB3
|
A:ASN61
|
5.0
|
21.3
|
1.0
|
|
N
|
A:GLY64
|
5.0
|
22.5
|
1.0
|
|
Calcium binding site 2 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 2 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 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 ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca103
b:18.2
occ:0.54
|
O
|
A:ALA28
|
2.3
|
18.3
|
1.0
|
|
O
|
A:LYS23
|
2.3
|
17.5
|
1.0
|
|
O
|
A:SER20
|
2.3
|
20.8
|
1.0
|
|
O
|
A:ASN25
|
2.4
|
17.0
|
1.0
|
|
O
|
A:HOH221
|
2.5
|
18.2
|
1.0
|
|
HE2
|
A:TYR30
|
3.0
|
23.7
|
1.0
|
|
HA
|
A:SER20
|
3.1
|
22.9
|
1.0
|
|
H
|
A:LYS23
|
3.2
|
23.9
|
1.0
|
|
H
|
A:ALA28
|
3.2
|
24.1
|
1.0
|
|
C
|
A:SER20
|
3.3
|
19.5
|
1.0
|
|
HB3
|
A:ALA28
|
3.3
|
22.6
|
1.0
|
|
C
|
A:ALA28
|
3.4
|
19.0
|
1.0
|
|
C
|
A:LYS23
|
3.5
|
18.1
|
1.0
|
|
C
|
A:ASN25
|
3.6
|
16.4
|
1.0
|
|
CE2
|
A:TYR30
|
3.6
|
19.8
|
1.0
|
|
O
|
A:HOH222
|
3.7
|
31.8
|
1.0
|
|
CA
|
A:SER20
|
3.7
|
19.1
|
1.0
|
|
N
|
A:ALA28
|
3.9
|
20.1
|
1.0
|
|
HB2
|
A:SER20
|
4.0
|
18.7
|
1.0
|
|
CA
|
A:ALA28
|
4.0
|
17.7
|
1.0
|
|
N
|
A:LYS23
|
4.0
|
19.9
|
1.0
|
|
HD2
|
A:TYR30
|
4.1
|
22.3
|
1.0
|
|
HA
|
A:PHE26
|
4.1
|
23.5
|
1.0
|
|
CB
|
A:ALA28
|
4.1
|
18.8
|
1.0
|
|
N
|
A:ASN25
|
4.1
|
18.0
|
1.0
|
|
HG3
|
A:LYS23
|
4.2
|
27.2
|
1.0
|
|
CD2
|
A:TYR30
|
4.2
|
18.6
|
1.0
|
|
C
|
A:GLY24
|
4.2
|
25.1
|
1.0
|
|
HA
|
A:VAL29
|
4.3
|
18.9
|
1.0
|
|
H
|
A:ASN25
|
4.3
|
21.6
|
1.0
|
|
CA
|
A:LYS23
|
4.4
|
21.3
|
1.0
|
|
H
|
A:ILE22
|
4.4
|
19.6
|
1.0
|
|
HA3
|
A:GLY24
|
4.4
|
27.1
|
1.0
|
|
O
|
A:TYR19
|
4.4
|
17.2
|
1.0
|
|
CZ
|
A:TYR30
|
4.4
|
23.5
|
1.0
|
|
CB
|
A:SER20
|
4.4
|
15.6
|
1.0
|
|
CA
|
A:ASN25
|
4.4
|
18.4
|
1.0
|
|
HB3
|
A:ASN25
|
4.4
|
26.6
|
1.0
|
|
N
|
A:LEU21
|
4.5
|
18.2
|
1.0
|
|
N
|
A:GLY24
|
4.5
|
20.4
|
1.0
|
|
O
|
A:GLY24
|
4.5
|
22.7
|
1.0
|
|
HA
|
A:LEU21
|
4.5
|
23.1
|
1.0
|
|
N
|
A:VAL29
|
4.5
|
18.9
|
1.0
|
|
N
|
A:PHE26
|
4.5
|
17.5
|
1.0
|
|
OH
|
A:TYR30
|
4.5
|
19.6
|
1.0
|
|
HB1
|
A:ALA28
|
4.5
|
22.6
|
1.0
|
|
OD2
|
A:ASP33
|
4.6
|
21.0
|
1.0
|
|
CA
|
A:PHE26
|
4.6
|
19.6
|
1.0
|
|
CA
|
A:GLY24
|
4.6
|
22.6
|
1.0
|
|
C
|
A:PHE26
|
4.6
|
23.0
|
1.0
|
|
N
|
A:ILE22
|
4.7
|
16.3
|
1.0
|
|
HB2
|
A:ALA28
|
4.8
|
22.6
|
1.0
|
|
H
|
A:TYR30
|
4.9
|
23.3
|
1.0
|
|
CA
|
A:LEU21
|
4.9
|
19.2
|
1.0
|
|
CA
|
A:VAL29
|
4.9
|
15.8
|
1.0
|
|
HG2
|
A:LYS23
|
4.9
|
27.2
|
1.0
|
|
CG
|
A:LYS23
|
4.9
|
22.7
|
1.0
|
|
O
|
A:PHE26
|
4.9
|
16.7
|
1.0
|
|
HB
|
A:ILE22
|
4.9
|
24.0
|
1.0
|
|
N
|
A:SER20
|
4.9
|
20.0
|
1.0
|
|
N
|
A:HIS27
|
4.9
|
18.8
|
1.0
|
|
HA
|
A:ALA28
|
4.9
|
21.2
|
1.0
|
|
Calcium binding site 3 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 3 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 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 ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca102
b:17.2
occ:1.00
|
O
|
B:HOH210
|
2.2
|
22.4
|
1.0
|
|
OD1
|
B:ASP59
|
2.2
|
19.9
|
1.0
|
|
O
|
B:ALA65
|
2.3
|
21.1
|
1.0
|
|
OD1
|
B:ASP63
|
2.3
|
17.9
|
1.0
|
|
OD1
|
B:ASN61
|
2.4
|
19.0
|
1.0
|
|
OE1
|
B:GLU70
|
2.5
|
22.5
|
1.0
|
|
OE2
|
B:GLU70
|
2.5
|
27.1
|
1.0
|
|
CD
|
B:GLU70
|
2.8
|
23.9
|
1.0
|
|
HA
|
B:ASP59
|
3.2
|
26.3
|
1.0
|
|
CG
|
B:ASP63
|
3.3
|
21.8
|
1.0
|
|
CG
|
B:ASP59
|
3.3
|
24.5
|
1.0
|
|
H
|
B:ALA65
|
3.4
|
22.3
|
1.0
|
|
C
|
B:ALA65
|
3.5
|
18.9
|
1.0
|
|
CG
|
B:ASN61
|
3.5
|
21.9
|
1.0
|
|
H
|
B:ASP63
|
3.5
|
26.1
|
1.0
|
|
OD2
|
B:ASP63
|
3.6
|
22.2
|
1.0
|
|
H
|
B:ASN61
|
3.7
|
24.6
|
1.0
|
|
HD21
|
B:ASN61
|
3.7
|
23.9
|
1.0
|
|
HA
|
B:VAL66
|
3.8
|
18.5
|
1.0
|
|
H
|
B:ASN67
|
3.9
|
22.3
|
1.0
|
|
CA
|
B:ASP59
|
4.0
|
21.9
|
1.0
|
|
ND2
|
B:ASN61
|
4.0
|
19.9
|
1.0
|
|
CB
|
B:ASP59
|
4.1
|
19.2
|
1.0
|
|
N
|
B:ALA65
|
4.2
|
18.6
|
1.0
|
|
OD2
|
B:ASP59
|
4.2
|
21.9
|
1.0
|
|
H
|
B:ILE60
|
4.3
|
25.2
|
1.0
|
|
N
|
B:ASP63
|
4.3
|
21.7
|
1.0
|
|
HB2
|
B:ASP59
|
4.3
|
23.1
|
1.0
|
|
CG
|
B:GLU70
|
4.4
|
22.2
|
1.0
|
|
HG21
|
C:THR64
|
4.4
|
28.5
|
1.0
|
|
C
|
B:ASP59
|
4.4
|
22.3
|
1.0
|
|
N
|
B:VAL66
|
4.4
|
17.1
|
1.0
|
|
CA
|
B:ALA65
|
4.4
|
23.4
|
1.0
|
|
HB3
|
B:ALA65
|
4.5
|
27.4
|
1.0
|
|
N
|
B:ASN61
|
4.5
|
20.5
|
1.0
|
|
CB
|
B:ASP63
|
4.5
|
17.6
|
1.0
|
|
H
|
B:THR62
|
4.5
|
22.4
|
1.0
|
|
CA
|
B:VAL66
|
4.5
|
15.4
|
1.0
|
|
N
|
B:ILE60
|
4.5
|
21.0
|
1.0
|
|
N
|
B:ASN67
|
4.6
|
18.6
|
1.0
|
|
CB
|
B:ASN61
|
4.7
|
17.9
|
1.0
|
|
HB3
|
B:ASP63
|
4.7
|
21.1
|
1.0
|
|
H
|
B:GLY64
|
4.7
|
23.9
|
1.0
|
|
HG3
|
B:GLU70
|
4.7
|
26.6
|
1.0
|
|
HG2
|
B:GLU70
|
4.7
|
26.6
|
1.0
|
|
N
|
B:THR62
|
4.8
|
18.7
|
1.0
|
|
HB3
|
B:ASN67
|
4.8
|
26.4
|
1.0
|
|
CA
|
B:ASP63
|
4.8
|
18.4
|
1.0
|
|
HG1
|
C:THR64
|
4.9
|
35.5
|
1.0
|
|
HD22
|
B:ASN61
|
4.9
|
23.9
|
1.0
|
|
HB2
|
B:GLU70
|
4.9
|
22.8
|
1.0
|
|
CA
|
B:ASN61
|
4.9
|
17.5
|
1.0
|
|
HB3
|
B:ASN61
|
5.0
|
21.4
|
1.0
|
|
N
|
B:GLY64
|
5.0
|
19.9
|
1.0
|
|
C
|
B:ASN61
|
5.0
|
17.6
|
1.0
|
|
C
|
B:ASP63
|
5.0
|
24.6
|
1.0
|
|
HB3
|
B:ASP59
|
5.0
|
23.1
|
1.0
|
|
Calcium binding site 4 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 4 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 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 ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca202
b:21.1
occ:1.00
|
OD1
|
C:ASN65
|
2.2
|
24.1
|
1.0
|
|
OD1
|
C:ASP63
|
2.3
|
21.7
|
1.0
|
|
O
|
C:GLN69
|
2.3
|
20.3
|
1.0
|
|
OD1
|
C:ASP67
|
2.4
|
21.9
|
1.0
|
|
O
|
C:HOH325
|
2.4
|
24.1
|
1.0
|
|
OE1
|
C:GLU74
|
2.5
|
25.6
|
1.0
|
|
OE2
|
C:GLU74
|
2.5
|
26.2
|
1.0
|
|
CD
|
C:GLU74
|
2.9
|
25.3
|
1.0
|
|
CG
|
C:ASP67
|
3.3
|
19.9
|
1.0
|
|
CG
|
C:ASN65
|
3.3
|
22.8
|
1.0
|
|
H
|
C:ASP67
|
3.4
|
27.9
|
1.0
|
|
C
|
C:GLN69
|
3.4
|
20.6
|
1.0
|
|
H
|
C:GLN69
|
3.4
|
27.3
|
1.0
|
|
CG
|
C:ASP63
|
3.5
|
19.1
|
1.0
|
|
H
|
C:ASN65
|
3.5
|
21.5
|
1.0
|
|
HA
|
C:ASP63
|
3.6
|
19.4
|
1.0
|
|
HA
|
C:LEU70
|
3.6
|
18.1
|
1.0
|
|
HD21
|
C:ASN65
|
3.6
|
36.6
|
1.0
|
|
OD2
|
C:ASP67
|
3.6
|
25.3
|
1.0
|
|
H
|
C:SER71
|
3.8
|
23.9
|
1.0
|
|
ND2
|
C:ASN65
|
3.9
|
30.5
|
1.0
|
|
HB2
|
C:GLN69
|
4.0
|
28.0
|
1.0
|
|
H
|
C:ALA66
|
4.1
|
27.4
|
1.0
|
|
HD23
|
C:LEU70
|
4.1
|
25.1
|
1.0
|
|
N
|
C:GLN69
|
4.1
|
22.8
|
1.0
|
|
N
|
C:ASP67
|
4.2
|
23.2
|
1.0
|
|
CA
|
C:ASP63
|
4.2
|
16.2
|
1.0
|
|
N
|
C:ASN65
|
4.2
|
17.9
|
1.0
|
|
H
|
C:THR64
|
4.3
|
22.3
|
1.0
|
|
OD2
|
C:ASP63
|
4.3
|
23.3
|
1.0
|
|
CA
|
C:GLN69
|
4.3
|
22.9
|
1.0
|
|
N
|
C:LEU70
|
4.3
|
18.2
|
1.0
|
|
CB
|
C:ASP63
|
4.3
|
18.0
|
1.0
|
|
CA
|
C:LEU70
|
4.3
|
15.1
|
1.0
|
|
C
|
C:ASP63
|
4.4
|
17.8
|
1.0
|
|
H
|
C:LYS68
|
4.4
|
25.7
|
1.0
|
|
CG
|
C:GLU74
|
4.4
|
22.8
|
1.0
|
|
CB
|
C:ASP67
|
4.5
|
22.6
|
1.0
|
|
N
|
C:THR64
|
4.5
|
18.6
|
1.0
|
|
N
|
C:SER71
|
4.5
|
19.9
|
1.0
|
|
N
|
C:ALA66
|
4.5
|
22.8
|
1.0
|
|
CB
|
C:ASN65
|
4.5
|
19.6
|
1.0
|
|
HB2
|
C:ASP63
|
4.6
|
21.6
|
1.0
|
|
HB3
|
C:ASP67
|
4.7
|
27.2
|
1.0
|
|
CB
|
C:GLN69
|
4.7
|
23.3
|
1.0
|
|
HD22
|
C:ASN65
|
4.7
|
36.6
|
1.0
|
|
N
|
C:LYS68
|
4.7
|
21.4
|
1.0
|
|
CA
|
C:ASN65
|
4.7
|
19.4
|
1.0
|
|
CA
|
C:ASP67
|
4.7
|
21.7
|
1.0
|
|
O
|
B:HOH218
|
4.7
|
20.9
|
1.0
|
|
HB3
|
C:ASN65
|
4.8
|
23.6
|
1.0
|
|
HG3
|
C:GLU74
|
4.8
|
27.4
|
1.0
|
|
HG2
|
C:GLU74
|
4.8
|
27.4
|
1.0
|
|
C
|
C:ASN65
|
4.8
|
26.0
|
1.0
|
|
O
|
C:ASP63
|
4.8
|
18.3
|
1.0
|
|
HB3
|
C:SER71
|
4.8
|
24.4
|
1.0
|
|
O
|
C:HOH382
|
4.9
|
33.5
|
1.0
|
|
C
|
C:LEU70
|
4.9
|
18.1
|
1.0
|
|
HD22
|
C:LEU70
|
4.9
|
25.1
|
1.0
|
|
C
|
C:ASP67
|
4.9
|
27.8
|
1.0
|
|
HB2
|
C:GLU74
|
4.9
|
24.4
|
1.0
|
|
CD2
|
C:LEU70
|
4.9
|
20.9
|
1.0
|
|
Calcium binding site 5 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 5 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 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 ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca203
b:40.5
occ:1.00
|
O
|
C:HOH307
|
2.2
|
20.6
|
1.0
|
|
O
|
C:HOH355
|
2.2
|
24.3
|
1.0
|
|
O
|
C:HOH360
|
2.2
|
27.2
|
1.0
|
|
HE22
|
C:GLN17
|
3.1
|
46.1
|
1.0
|
|
HH
|
C:TYR18
|
3.7
|
28.8
|
1.0
|
|
NE2
|
C:GLN17
|
3.9
|
38.5
|
1.0
|
|
OD2
|
C:ASP40
|
4.0
|
29.2
|
1.0
|
|
O
|
C:HOH372
|
4.1
|
40.6
|
1.0
|
|
OD1
|
C:ASP40
|
4.2
|
30.5
|
1.0
|
|
OE1
|
C:GLN17
|
4.3
|
32.6
|
1.0
|
|
OH
|
C:TYR18
|
4.4
|
24.0
|
1.0
|
|
CA
|
C:CA204
|
4.4
|
36.1
|
1.0
|
|
CG
|
C:ASP40
|
4.5
|
23.7
|
1.0
|
|
HE21
|
C:GLN17
|
4.5
|
46.1
|
1.0
|
|
CD
|
C:GLN17
|
4.6
|
42.0
|
1.0
|
|
O
|
C:HOH342
|
4.7
|
23.6
|
1.0
|
|
HE2
|
C:TYR18
|
4.8
|
27.5
|
1.0
|
|
Calcium binding site 6 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 6 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 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 ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca204
b:36.1
occ:1.00
|
HZ2
|
C:LYS39
|
2.6
|
45.0
|
1.0
|
|
O
|
C:HOH360
|
2.9
|
27.2
|
1.0
|
|
HD2
|
C:LYS39
|
3.2
|
46.1
|
1.0
|
|
NZ
|
C:LYS39
|
3.4
|
37.5
|
1.0
|
|
HZ3
|
C:LYS39
|
3.5
|
45.0
|
1.0
|
|
CD
|
C:LYS39
|
3.9
|
38.4
|
1.0
|
|
HD3
|
C:LYS39
|
4.0
|
46.1
|
1.0
|
|
HZ1
|
C:LYS39
|
4.0
|
45.0
|
1.0
|
|
CE
|
C:LYS39
|
4.0
|
29.0
|
1.0
|
|
HE3
|
C:LYS39
|
4.2
|
34.8
|
1.0
|
|
CA
|
C:CA203
|
4.4
|
40.5
|
1.0
|
|
O
|
C:HOH340
|
4.5
|
35.9
|
1.0
|
|
O
|
C:HOH355
|
4.5
|
24.3
|
1.0
|
|
OH
|
C:TYR18
|
4.5
|
24.0
|
1.0
|
|
HH
|
C:TYR18
|
4.6
|
28.8
|
1.0
|
|
HE2
|
C:LYS39
|
4.9
|
34.8
|
1.0
|
|
Calcium binding site 7 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 7 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 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 ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca205
b:73.6
occ:1.00
|
O
|
C:HOH305
|
2.2
|
37.0
|
1.0
|
|
O
|
C:HOH351
|
2.3
|
37.2
|
1.0
|
|
O
|
C:HOH313
|
2.5
|
40.1
|
1.0
|
|
O
|
C:HOH339
|
2.5
|
42.5
|
1.0
|
|
O
|
D:HOH352
|
3.5
|
29.5
|
1.0
|
|
OE1
|
C:GLU88
|
3.6
|
32.2
|
1.0
|
|
O
|
D:HOH375
|
3.8
|
40.2
|
1.0
|
|
O
|
D:HOH365
|
4.2
|
42.6
|
1.0
|
|
OE2
|
C:GLU88
|
4.2
|
26.4
|
1.0
|
|
CD
|
C:GLU88
|
4.2
|
24.1
|
1.0
|
|
HB3
|
C:HIS91
|
4.2
|
28.2
|
1.0
|
|
HB2
|
C:HIS91
|
4.3
|
28.2
|
1.0
|
|
O
|
C:HOH335
|
4.5
|
41.2
|
1.0
|
|
O
|
C:HIS91
|
4.6
|
29.6
|
1.0
|
|
HA
|
C:GLU88
|
4.7
|
28.8
|
1.0
|
|
CB
|
C:HIS91
|
4.8
|
23.5
|
1.0
|
|
HG12
|
D:ILE58
|
4.8
|
36.6
|
1.0
|
|
Calcium binding site 8 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 8 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca201
b:21.5
occ:1.00
|
OD1
|
D:ASP63
|
2.2
|
21.3
|
1.0
|
|
O
|
D:GLN69
|
2.2
|
20.7
|
1.0
|
|
OD1
|
D:ASN65
|
2.3
|
21.1
|
1.0
|
|
OE1
|
D:GLU74
|
2.4
|
25.1
|
1.0
|
|
O
|
D:HOH335
|
2.5
|
25.8
|
1.0
|
|
OD1
|
D:ASP67
|
2.5
|
21.0
|
1.0
|
|
OE2
|
D:GLU74
|
2.6
|
26.3
|
1.0
|
|
CD
|
D:GLU74
|
2.8
|
21.7
|
1.0
|
|
CG
|
D:ASP67
|
3.3
|
29.6
|
1.0
|
|
CG
|
D:ASN65
|
3.3
|
20.6
|
1.0
|
|
C
|
D:GLN69
|
3.4
|
23.5
|
1.0
|
|
CG
|
D:ASP63
|
3.4
|
19.6
|
1.0
|
|
H
|
D:GLN69
|
3.4
|
28.9
|
1.0
|
|
H
|
D:ASP67
|
3.5
|
28.5
|
1.0
|
|
H
|
D:ASN65
|
3.5
|
22.4
|
1.0
|
|
HA
|
D:ASP63
|
3.6
|
25.1
|
1.0
|
|
OD2
|
D:ASP67
|
3.6
|
27.3
|
1.0
|
|
HA
|
D:LEU70
|
3.7
|
26.5
|
1.0
|
|
HD21
|
D:ASN65
|
3.7
|
33.6
|
1.0
|
|
H
|
D:SER71
|
3.7
|
25.7
|
1.0
|
|
HB2
|
D:GLN69
|
3.9
|
32.6
|
1.0
|
|
ND2
|
D:ASN65
|
3.9
|
28.0
|
1.0
|
|
H
|
D:ALA66
|
4.1
|
23.4
|
1.0
|
|
N
|
D:GLN69
|
4.1
|
24.1
|
1.0
|
|
CA
|
D:ASP63
|
4.2
|
20.9
|
1.0
|
|
CA
|
D:GLN69
|
4.2
|
22.7
|
1.0
|
|
OD2
|
D:ASP63
|
4.2
|
20.6
|
1.0
|
|
H
|
D:THR64
|
4.2
|
21.8
|
1.0
|
|
N
|
D:ASN65
|
4.2
|
18.7
|
1.0
|
|
N
|
D:ASP67
|
4.2
|
23.7
|
1.0
|
|
CB
|
D:ASP63
|
4.3
|
21.7
|
1.0
|
|
N
|
D:LEU70
|
4.3
|
18.9
|
1.0
|
|
HD23
|
D:LEU70
|
4.3
|
45.0
|
1.0
|
|
C
|
D:ASP63
|
4.3
|
21.4
|
1.0
|
|
CG
|
D:GLU74
|
4.3
|
21.1
|
1.0
|
|
CA
|
D:LEU70
|
4.4
|
22.1
|
1.0
|
|
N
|
D:SER71
|
4.4
|
21.4
|
1.0
|
|
N
|
D:THR64
|
4.4
|
18.1
|
1.0
|
|
HB2
|
D:ASP63
|
4.4
|
26.1
|
1.0
|
|
N
|
D:ALA66
|
4.5
|
19.5
|
1.0
|
|
CB
|
D:ASN65
|
4.5
|
19.2
|
1.0
|
|
CB
|
D:ASP67
|
4.5
|
28.6
|
1.0
|
|
H
|
D:LYS68
|
4.5
|
27.1
|
1.0
|
|
CB
|
D:GLN69
|
4.5
|
27.2
|
1.0
|
|
HB3
|
D:SER71
|
4.7
|
26.2
|
1.0
|
|
O
|
D:HOH319
|
4.7
|
22.9
|
1.0
|
|
CA
|
D:ASN65
|
4.7
|
20.1
|
1.0
|
|
HG2
|
D:GLU74
|
4.7
|
25.3
|
1.0
|
|
HB3
|
D:ASN65
|
4.7
|
23.1
|
1.0
|
|
HG3
|
D:GLU74
|
4.8
|
25.3
|
1.0
|
|
CA
|
D:ASP67
|
4.8
|
27.5
|
1.0
|
|
HD22
|
D:ASN65
|
4.8
|
33.6
|
1.0
|
|
N
|
D:LYS68
|
4.8
|
22.5
|
1.0
|
|
HB3
|
D:ASP67
|
4.8
|
34.4
|
1.0
|
|
O
|
D:ASP63
|
4.8
|
18.4
|
1.0
|
|
C
|
D:LEU70
|
4.8
|
25.1
|
1.0
|
|
C
|
D:ASN65
|
4.9
|
19.8
|
1.0
|
|
C
|
D:ASP67
|
4.9
|
22.4
|
1.0
|
|
HB2
|
D:GLU74
|
4.9
|
23.1
|
1.0
|
|
O
|
D:HOH380
|
4.9
|
33.8
|
1.0
|
|
HB3
|
D:GLN69
|
5.0
|
32.6
|
1.0
|
|
Calcium binding site 9 out
of 9 in 8sjc
Go back to
Calcium Binding Sites List in 8sjc
Calcium binding site 9 out
of 9 in the Crystal Structure of ZN2+ Bound Calprotectin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Crystal Structure of ZN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca202
b:35.0
occ:1.00
|
O
|
D:HOH349
|
2.2
|
40.7
|
1.0
|
|
O
|
D:LEU22
|
2.4
|
29.0
|
1.0
|
|
O
|
D:THR27
|
2.4
|
22.7
|
1.0
|
|
O
|
D:HIS24
|
2.4
|
32.9
|
1.0
|
|
O
|
D:SER19
|
2.5
|
26.3
|
1.0
|
|
OE1
|
D:GLU32
|
3.1
|
33.3
|
1.0
|
|
HA
|
D:SER19
|
3.3
|
36.3
|
1.0
|
|
OE2
|
D:GLU32
|
3.3
|
40.3
|
1.0
|
|
H
|
D:LEU22
|
3.3
|
42.2
|
1.0
|
|
C
|
D:SER19
|
3.5
|
23.3
|
1.0
|
|
C
|
D:LEU22
|
3.5
|
47.1
|
1.0
|
|
C
|
D:HIS24
|
3.6
|
30.0
|
1.0
|
|
C
|
D:THR27
|
3.6
|
33.5
|
1.0
|
|
CD
|
D:GLU32
|
3.6
|
49.9
|
1.0
|
|
H
|
D:THR27
|
3.7
|
34.1
|
1.0
|
|
HA
|
D:PRO25
|
3.7
|
38.5
|
1.0
|
|
HA
|
D:LEU28
|
3.8
|
27.6
|
1.0
|
|
CA
|
D:SER19
|
3.9
|
30.2
|
1.0
|
|
HB2
|
D:SER19
|
4.0
|
40.8
|
1.0
|
|
HE22
|
D:GLN69
|
4.0
|
55.2
|
1.0
|
|
N
|
D:LEU22
|
4.0
|
35.2
|
1.0
|
|
N
|
D:HIS24
|
4.1
|
30.2
|
1.0
|
|
HB2
|
D:LEU22
|
4.2
|
51.2
|
1.0
|
|
H
|
D:ASN29
|
4.2
|
26.1
|
1.0
|
|
H
|
D:HIS24
|
4.2
|
36.3
|
1.0
|
|
C
|
D:GLY23
|
4.3
|
33.9
|
1.0
|
|
CA
|
D:LEU22
|
4.3
|
40.2
|
1.0
|
|
CA
|
D:PRO25
|
4.4
|
32.1
|
1.0
|
|
N
|
D:THR27
|
4.4
|
28.4
|
1.0
|
|
N
|
D:PRO25
|
4.4
|
37.8
|
1.0
|
|
CA
|
D:HIS24
|
4.4
|
30.8
|
1.0
|
|
N
|
D:LEU28
|
4.5
|
20.2
|
1.0
|
|
HA3
|
D:GLY23
|
4.5
|
42.0
|
1.0
|
|
CB
|
D:SER19
|
4.5
|
34.0
|
1.0
|
|
CA
|
D:LEU28
|
4.5
|
23.0
|
1.0
|
|
HB3
|
D:HIS24
|
4.5
|
36.7
|
1.0
|
|
N
|
D:GLY23
|
4.5
|
36.2
|
1.0
|
|
CA
|
D:THR27
|
4.6
|
27.3
|
1.0
|
|
O
|
D:TYR18
|
4.6
|
28.4
|
1.0
|
|
HE21
|
D:GLN69
|
4.6
|
55.2
|
1.0
|
|
OG1
|
D:THR27
|
4.6
|
24.9
|
1.0
|
|
H
|
D:LYS21
|
4.6
|
56.1
|
1.0
|
|
O
|
D:GLY23
|
4.6
|
37.2
|
1.0
|
|
N
|
D:VAL20
|
4.6
|
28.8
|
1.0
|
|
NE2
|
D:GLN69
|
4.6
|
46.0
|
1.0
|
|
CA
|
D:GLY23
|
4.7
|
35.0
|
1.0
|
|
C
|
D:PRO25
|
4.7
|
36.9
|
1.0
|
|
HA
|
D:VAL20
|
4.7
|
39.8
|
1.0
|
|
N
|
D:ASN29
|
4.8
|
21.8
|
1.0
|
|
N
|
D:LYS21
|
4.8
|
46.8
|
1.0
|
|
CB
|
D:LEU22
|
4.8
|
42.7
|
1.0
|
|
HD23
|
D:LEU28
|
4.8
|
40.1
|
1.0
|
|
C
|
D:VAL20
|
5.0
|
40.4
|
1.0
|
|
C
|
D:LEU28
|
5.0
|
29.5
|
1.0
|
|
Reference:
Y.R.Perera,
V.Garcia,
R.M.Guillen,
W.J.Chazin.
Crystal Structure of ZN2+ Bound Calprotectin To Be Published.
Page generated: Fri Jul 19 11:29:58 2024
|
