Calcium in PDB 1odb: The Crystal Structure of Human S100A12 - Copper Complex
Protein crystallography data
The structure of The Crystal Structure of Human S100A12 - Copper Complex, PDB code: 1odb
was solved by
O.V.Moroz,
A.A.Antson,
S.J.Grist,
N.J.Maitland,
G.G.Dodson,
K.S.Wilson,
E.M.Lukanidin,
I.B.Bronstein,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
25.00 /
2.19
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
70.569,
118.957,
90.185,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.6 /
22.6
|
Other elements in 1odb:
The structure of The Crystal Structure of Human S100A12 - Copper Complex also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Calcium atom in the The Crystal Structure of Human S100A12 - Copper Complex
(pdb code 1odb). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the
The Crystal Structure of Human S100A12 - Copper Complex, PDB code: 1odb:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 1 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1092
b:17.8
occ:1.00
|
O
|
A:HIS23
|
2.3
|
19.2
|
1.0
|
O
|
A:HOH2059
|
2.4
|
30.8
|
1.0
|
O
|
A:SER18
|
2.4
|
18.0
|
1.0
|
O
|
A:THR26
|
2.4
|
17.5
|
1.0
|
O
|
A:LYS21
|
2.4
|
21.5
|
1.0
|
OE1
|
A:GLU31
|
2.4
|
20.6
|
1.0
|
OE2
|
A:GLU31
|
2.6
|
16.9
|
1.0
|
CD
|
A:GLU31
|
2.9
|
19.2
|
1.0
|
C
|
A:SER18
|
3.4
|
18.4
|
1.0
|
C
|
A:HIS23
|
3.5
|
20.3
|
1.0
|
C
|
A:THR26
|
3.6
|
18.4
|
1.0
|
C
|
A:LYS21
|
3.6
|
22.1
|
1.0
|
CA
|
A:SER18
|
3.9
|
18.4
|
1.0
|
N
|
A:LYS21
|
4.2
|
21.2
|
1.0
|
N
|
A:HIS23
|
4.2
|
20.9
|
1.0
|
C
|
A:GLY22
|
4.2
|
21.9
|
1.0
|
CG
|
A:GLU31
|
4.4
|
18.7
|
1.0
|
N
|
A:SER28
|
4.4
|
18.9
|
1.0
|
CA
|
A:HIS23
|
4.4
|
21.3
|
1.0
|
CA
|
A:LEU27
|
4.4
|
18.8
|
1.0
|
N
|
A:LEU27
|
4.4
|
18.9
|
1.0
|
O
|
A:GLY22
|
4.4
|
21.4
|
1.0
|
CA
|
A:LYS21
|
4.5
|
22.2
|
1.0
|
N
|
A:THR26
|
4.5
|
19.4
|
1.0
|
N
|
A:PHE24
|
4.5
|
20.1
|
1.0
|
N
|
A:VAL19
|
4.5
|
18.3
|
1.0
|
N
|
A:GLY22
|
4.6
|
22.4
|
1.0
|
N
|
A:ARG20
|
4.6
|
19.5
|
1.0
|
CA
|
A:PHE24
|
4.6
|
19.6
|
1.0
|
CB
|
A:SER18
|
4.6
|
18.2
|
1.0
|
CA
|
A:THR26
|
4.6
|
18.7
|
1.0
|
OG1
|
A:THR26
|
4.6
|
19.6
|
1.0
|
CA
|
A:GLY22
|
4.7
|
22.2
|
1.0
|
OE1
|
A:GLN67
|
4.8
|
26.9
|
1.0
|
O
|
A:TYR17
|
4.8
|
16.6
|
1.0
|
C
|
A:LEU27
|
4.8
|
19.0
|
1.0
|
C
|
A:VAL19
|
4.8
|
19.4
|
1.0
|
C
|
A:PHE24
|
4.9
|
19.5
|
1.0
|
CA
|
A:VAL19
|
4.9
|
18.6
|
1.0
|
CG
|
A:LYS21
|
4.9
|
25.7
|
1.0
|
|
Calcium binding site 2 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 2 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1093
b:18.7
occ:1.00
|
OD1
|
A:ASP61
|
2.3
|
23.4
|
1.0
|
O
|
A:GLN67
|
2.3
|
20.6
|
1.0
|
OD1
|
A:ASP65
|
2.4
|
13.9
|
1.0
|
OE1
|
A:GLU72
|
2.4
|
18.0
|
1.0
|
O
|
A:HOH2061
|
2.4
|
31.6
|
1.0
|
OD1
|
A:ASN63
|
2.5
|
17.5
|
1.0
|
OE2
|
A:GLU72
|
2.6
|
21.3
|
1.0
|
CD
|
A:GLU72
|
2.9
|
18.6
|
1.0
|
CG
|
A:ASP65
|
3.3
|
18.8
|
1.0
|
CG
|
A:ASP61
|
3.4
|
20.1
|
1.0
|
C
|
A:GLN67
|
3.5
|
19.7
|
1.0
|
CG
|
A:ASN63
|
3.5
|
19.1
|
1.0
|
OD2
|
A:ASP65
|
3.8
|
19.5
|
1.0
|
ND2
|
A:ASN63
|
4.0
|
21.1
|
1.0
|
CA
|
A:ASP61
|
4.1
|
19.0
|
1.0
|
N
|
A:GLN67
|
4.2
|
19.5
|
1.0
|
CB
|
A:ASP61
|
4.2
|
19.2
|
1.0
|
OD2
|
A:ASP61
|
4.3
|
16.2
|
1.0
|
N
|
A:ASP65
|
4.3
|
19.0
|
1.0
|
CA
|
A:GLN67
|
4.3
|
20.3
|
1.0
|
N
|
A:VAL68
|
4.4
|
19.5
|
1.0
|
CG
|
A:GLU72
|
4.4
|
20.6
|
1.0
|
CA
|
A:VAL68
|
4.4
|
19.6
|
1.0
|
C
|
A:ASP61
|
4.4
|
18.6
|
1.0
|
N
|
A:ASN63
|
4.5
|
18.8
|
1.0
|
CB
|
A:ASP65
|
4.5
|
18.5
|
1.0
|
CB
|
A:GLN67
|
4.5
|
20.0
|
1.0
|
N
|
A:ASP69
|
4.5
|
19.7
|
1.0
|
OD2
|
A:ASP69
|
4.6
|
26.1
|
1.0
|
N
|
A:GLN64
|
4.6
|
18.5
|
1.0
|
N
|
A:ALA62
|
4.6
|
18.2
|
1.0
|
CB
|
A:ASN63
|
4.7
|
18.6
|
1.0
|
CA
|
A:ASP65
|
4.7
|
18.9
|
1.0
|
N
|
A:GLU66
|
4.8
|
19.3
|
1.0
|
CA
|
A:ASN63
|
4.9
|
18.5
|
1.0
|
C
|
A:ASN63
|
4.9
|
18.5
|
1.0
|
C
|
A:ASP65
|
4.9
|
18.9
|
1.0
|
O
|
A:HOH2065
|
5.0
|
45.1
|
1.0
|
C
|
A:VAL68
|
5.0
|
19.7
|
1.0
|
O
|
A:ASP61
|
5.0
|
18.0
|
1.0
|
|
Calcium binding site 3 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 3 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1092
b:21.0
occ:1.00
|
O
|
B:HOH2026
|
2.3
|
36.6
|
1.0
|
O
|
B:LYS21
|
2.3
|
21.6
|
1.0
|
O
|
B:SER18
|
2.3
|
18.2
|
1.0
|
O
|
B:HIS23
|
2.4
|
21.6
|
1.0
|
O
|
B:THR26
|
2.4
|
21.8
|
1.0
|
OE1
|
B:GLU31
|
2.5
|
19.2
|
1.0
|
OE2
|
B:GLU31
|
2.6
|
21.0
|
1.0
|
CD
|
B:GLU31
|
2.9
|
19.3
|
1.0
|
C
|
B:SER18
|
3.4
|
18.8
|
1.0
|
C
|
B:LYS21
|
3.5
|
22.2
|
1.0
|
C
|
B:HIS23
|
3.6
|
22.2
|
1.0
|
C
|
B:THR26
|
3.6
|
21.2
|
1.0
|
CA
|
B:SER18
|
3.9
|
18.9
|
1.0
|
N
|
B:LYS21
|
4.2
|
20.8
|
1.0
|
N
|
B:HIS23
|
4.2
|
22.4
|
1.0
|
C
|
B:GLY22
|
4.3
|
22.5
|
1.0
|
N
|
B:THR26
|
4.4
|
20.7
|
1.0
|
CA
|
B:HIS23
|
4.4
|
22.8
|
1.0
|
CA
|
B:LYS21
|
4.4
|
21.8
|
1.0
|
CG
|
B:GLU31
|
4.4
|
18.3
|
1.0
|
CA
|
B:LEU27
|
4.4
|
21.1
|
1.0
|
N
|
B:LEU27
|
4.4
|
21.1
|
1.0
|
N
|
B:GLY22
|
4.5
|
22.4
|
1.0
|
N
|
B:SER28
|
4.5
|
19.2
|
1.0
|
N
|
B:PHE24
|
4.5
|
21.7
|
1.0
|
N
|
B:VAL19
|
4.5
|
18.7
|
1.0
|
OG1
|
B:THR26
|
4.6
|
20.2
|
1.0
|
CA
|
B:THR26
|
4.6
|
20.9
|
1.0
|
CB
|
B:SER18
|
4.6
|
19.0
|
1.0
|
CA
|
B:PHE24
|
4.6
|
21.8
|
1.0
|
O
|
B:TYR17
|
4.6
|
18.9
|
1.0
|
CA
|
B:GLY22
|
4.6
|
22.3
|
1.0
|
C
|
B:PHE24
|
4.6
|
21.2
|
1.0
|
N
|
B:ARG20
|
4.7
|
19.4
|
1.0
|
O
|
B:GLY22
|
4.7
|
22.6
|
1.0
|
C
|
B:LEU27
|
4.8
|
20.3
|
1.0
|
C
|
B:VAL19
|
4.8
|
19.1
|
1.0
|
O
|
B:HOH2009
|
4.9
|
48.6
|
1.0
|
N
|
B:ASP25
|
4.9
|
20.7
|
1.0
|
CA
|
B:VAL19
|
4.9
|
19.1
|
1.0
|
O
|
B:PHE24
|
4.9
|
20.9
|
1.0
|
CB
|
B:HIS23
|
4.9
|
23.4
|
1.0
|
|
Calcium binding site 4 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 4 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1093
b:19.6
occ:1.00
|
OD1
|
B:ASN63
|
2.1
|
22.3
|
1.0
|
O
|
B:GLN67
|
2.2
|
20.8
|
1.0
|
OE1
|
B:GLU72
|
2.4
|
20.4
|
1.0
|
OD1
|
B:ASP65
|
2.5
|
24.4
|
1.0
|
OD1
|
B:ASP61
|
2.6
|
27.1
|
1.0
|
OE2
|
B:GLU72
|
2.6
|
16.5
|
1.0
|
O
|
B:HOH2059
|
2.7
|
44.2
|
1.0
|
CD
|
B:GLU72
|
2.9
|
19.1
|
1.0
|
CG
|
B:ASN63
|
3.2
|
25.6
|
1.0
|
CG
|
B:ASP65
|
3.3
|
27.6
|
1.0
|
C
|
B:GLN67
|
3.4
|
20.7
|
1.0
|
OD2
|
B:ASP65
|
3.6
|
27.5
|
1.0
|
ND2
|
B:ASN63
|
3.7
|
28.1
|
1.0
|
CG
|
B:ASP61
|
3.8
|
22.0
|
1.0
|
CA
|
B:ASP61
|
4.2
|
21.6
|
1.0
|
N
|
B:GLN67
|
4.2
|
21.7
|
1.0
|
N
|
B:VAL68
|
4.3
|
19.8
|
1.0
|
N
|
B:ASP65
|
4.3
|
24.8
|
1.0
|
CA
|
B:VAL68
|
4.3
|
19.3
|
1.0
|
CA
|
B:GLN67
|
4.3
|
20.9
|
1.0
|
CB
|
B:ASP65
|
4.4
|
25.3
|
1.0
|
CG
|
B:GLU72
|
4.4
|
18.9
|
1.0
|
CG
|
B:GLN67
|
4.4
|
20.9
|
1.0
|
N
|
B:ASP69
|
4.4
|
19.5
|
1.0
|
N
|
B:ASN63
|
4.4
|
24.5
|
1.0
|
CB
|
B:ASP61
|
4.4
|
21.3
|
1.0
|
CB
|
B:ASN63
|
4.5
|
25.1
|
1.0
|
C
|
B:ASP61
|
4.6
|
22.0
|
1.0
|
OD2
|
B:ASP69
|
4.6
|
19.1
|
1.0
|
OD2
|
B:ASP61
|
4.6
|
22.1
|
1.0
|
N
|
B:ALA62
|
4.7
|
22.8
|
1.0
|
CA
|
B:ASP65
|
4.7
|
25.2
|
1.0
|
N
|
B:GLN64
|
4.7
|
25.1
|
1.0
|
O
|
B:HOH2064
|
4.7
|
44.9
|
1.0
|
CA
|
B:ASN63
|
4.8
|
25.5
|
1.0
|
C
|
B:ASP65
|
4.9
|
24.3
|
1.0
|
O
|
B:HOH2053
|
4.9
|
45.9
|
1.0
|
CG
|
B:ASP69
|
4.9
|
19.1
|
1.0
|
C
|
B:VAL68
|
4.9
|
19.2
|
1.0
|
CB
|
B:GLN67
|
4.9
|
21.0
|
1.0
|
N
|
B:GLU66
|
4.9
|
23.4
|
1.0
|
C
|
B:ASN63
|
4.9
|
25.6
|
1.0
|
|
Calcium binding site 5 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 5 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1092
b:18.9
occ:1.00
|
O
|
C:LYS21
|
2.3
|
19.6
|
1.0
|
O
|
C:SER18
|
2.3
|
17.4
|
1.0
|
OE1
|
C:GLU31
|
2.4
|
18.0
|
1.0
|
O
|
C:HIS23
|
2.4
|
18.5
|
1.0
|
O
|
C:HOH2021
|
2.4
|
43.2
|
1.0
|
O
|
C:THR26
|
2.4
|
20.5
|
1.0
|
OE2
|
C:GLU31
|
2.6
|
17.4
|
1.0
|
CD
|
C:GLU31
|
2.8
|
19.4
|
1.0
|
C
|
C:SER18
|
3.4
|
18.4
|
1.0
|
C
|
C:LYS21
|
3.5
|
19.5
|
1.0
|
C
|
C:HIS23
|
3.6
|
18.5
|
1.0
|
C
|
C:THR26
|
3.7
|
20.1
|
1.0
|
CA
|
C:SER18
|
3.9
|
18.0
|
1.0
|
N
|
C:LYS21
|
4.0
|
19.4
|
1.0
|
N
|
C:HIS23
|
4.1
|
18.4
|
1.0
|
C
|
C:GLY22
|
4.2
|
18.9
|
1.0
|
CA
|
C:LYS21
|
4.3
|
19.9
|
1.0
|
CG
|
C:GLU31
|
4.4
|
19.5
|
1.0
|
N
|
C:THR26
|
4.4
|
19.5
|
1.0
|
CA
|
C:HIS23
|
4.4
|
18.8
|
1.0
|
N
|
C:SER28
|
4.5
|
20.2
|
1.0
|
CA
|
C:LEU27
|
4.5
|
20.3
|
1.0
|
O
|
C:GLY22
|
4.5
|
18.4
|
1.0
|
N
|
C:VAL19
|
4.5
|
19.2
|
1.0
|
N
|
C:PHE24
|
4.5
|
18.9
|
1.0
|
N
|
C:LEU27
|
4.5
|
20.2
|
1.0
|
N
|
C:GLY22
|
4.5
|
19.0
|
1.0
|
N
|
C:ARG20
|
4.5
|
19.3
|
1.0
|
CA
|
C:PHE24
|
4.5
|
19.5
|
1.0
|
OG1
|
C:THR26
|
4.6
|
19.0
|
1.0
|
CB
|
C:SER18
|
4.6
|
17.9
|
1.0
|
O
|
C:TYR17
|
4.6
|
17.7
|
1.0
|
CA
|
C:THR26
|
4.6
|
19.6
|
1.0
|
C
|
C:PHE24
|
4.6
|
19.7
|
1.0
|
CA
|
C:GLY22
|
4.7
|
18.7
|
1.0
|
C
|
C:VAL19
|
4.8
|
18.8
|
1.0
|
O
|
C:PHE24
|
4.9
|
20.5
|
1.0
|
CA
|
C:VAL19
|
4.9
|
19.2
|
1.0
|
C
|
C:LEU27
|
4.9
|
19.9
|
1.0
|
N
|
C:ASP25
|
5.0
|
19.3
|
1.0
|
CB
|
C:LYS21
|
5.0
|
20.6
|
1.0
|
|
Calcium binding site 6 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 6 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1093
b:18.4
occ:1.00
|
O
|
C:GLN67
|
2.3
|
19.3
|
1.0
|
O
|
C:HOH2044
|
2.3
|
36.5
|
1.0
|
OE1
|
C:GLU72
|
2.4
|
19.4
|
1.0
|
OE2
|
C:GLU72
|
2.5
|
14.9
|
1.0
|
OD1
|
C:ASP65
|
2.5
|
27.6
|
1.0
|
OD1
|
C:ASP61
|
2.5
|
27.9
|
1.0
|
CD
|
C:GLU72
|
2.8
|
17.7
|
1.0
|
OD1
|
C:ASN63
|
3.2
|
28.0
|
1.0
|
C
|
C:GLN67
|
3.4
|
19.9
|
1.0
|
CG
|
C:ASP65
|
3.4
|
27.2
|
1.0
|
OD2
|
C:ASP65
|
3.6
|
31.7
|
1.0
|
CG
|
C:ASP61
|
3.7
|
24.4
|
1.0
|
CG
|
C:ASN63
|
4.0
|
25.8
|
1.0
|
ND2
|
C:ASN63
|
4.0
|
29.3
|
1.0
|
N
|
C:VAL68
|
4.2
|
19.0
|
1.0
|
CA
|
C:GLN67
|
4.2
|
21.1
|
1.0
|
N
|
C:GLN67
|
4.3
|
21.5
|
1.0
|
CA
|
C:VAL68
|
4.3
|
18.7
|
1.0
|
CG
|
C:GLU72
|
4.3
|
18.2
|
1.0
|
CA
|
C:ASP61
|
4.3
|
24.9
|
1.0
|
OD2
|
C:ASP69
|
4.3
|
18.3
|
1.0
|
CB
|
C:GLN67
|
4.4
|
21.3
|
1.0
|
N
|
C:ASP69
|
4.4
|
18.6
|
1.0
|
CB
|
C:ASP61
|
4.4
|
24.9
|
1.0
|
OD2
|
C:ASP61
|
4.5
|
23.4
|
1.0
|
N
|
C:ASP65
|
4.6
|
27.0
|
1.0
|
O
|
C:HOH2049
|
4.7
|
46.4
|
1.0
|
N
|
C:ALA62
|
4.7
|
25.4
|
1.0
|
C
|
C:ASP61
|
4.7
|
25.0
|
1.0
|
CG
|
C:ASP69
|
4.8
|
17.2
|
1.0
|
CB
|
C:ASP65
|
4.8
|
26.8
|
1.0
|
C
|
C:VAL68
|
4.8
|
18.4
|
1.0
|
N
|
C:ASN63
|
5.0
|
26.6
|
1.0
|
|
Calcium binding site 7 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 7 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca1092
b:18.8
occ:1.00
|
O
|
D:SER18
|
2.3
|
17.4
|
1.0
|
O
|
D:HOH2049
|
2.3
|
41.3
|
1.0
|
O
|
D:LYS21
|
2.3
|
20.9
|
1.0
|
O
|
D:THR26
|
2.4
|
18.8
|
1.0
|
OE1
|
D:GLU31
|
2.4
|
16.3
|
1.0
|
O
|
D:HIS23
|
2.4
|
20.9
|
1.0
|
OE2
|
D:GLU31
|
2.5
|
15.3
|
1.0
|
CD
|
D:GLU31
|
2.8
|
18.6
|
1.0
|
C
|
D:SER18
|
3.4
|
17.8
|
1.0
|
C
|
D:LYS21
|
3.5
|
21.0
|
1.0
|
C
|
D:THR26
|
3.6
|
18.5
|
1.0
|
C
|
D:HIS23
|
3.6
|
21.1
|
1.0
|
CA
|
D:SER18
|
3.9
|
17.9
|
1.0
|
N
|
D:LYS21
|
4.1
|
20.8
|
1.0
|
N
|
D:HIS23
|
4.1
|
21.4
|
1.0
|
C
|
D:GLY22
|
4.3
|
21.6
|
1.0
|
CG
|
D:GLU31
|
4.3
|
18.4
|
1.0
|
CA
|
D:LYS21
|
4.4
|
21.3
|
1.0
|
N
|
D:SER28
|
4.4
|
17.4
|
1.0
|
N
|
D:LEU27
|
4.4
|
17.8
|
1.0
|
CA
|
D:LEU27
|
4.4
|
17.6
|
1.0
|
N
|
D:THR26
|
4.4
|
18.6
|
1.0
|
CA
|
D:HIS23
|
4.5
|
21.6
|
1.0
|
N
|
D:VAL19
|
4.5
|
18.5
|
1.0
|
N
|
D:GLY22
|
4.5
|
21.2
|
1.0
|
N
|
D:PHE24
|
4.5
|
20.4
|
1.0
|
OG1
|
D:THR26
|
4.5
|
18.4
|
1.0
|
CA
|
D:THR26
|
4.6
|
18.5
|
1.0
|
N
|
D:ARG20
|
4.6
|
19.3
|
1.0
|
CB
|
D:SER18
|
4.6
|
17.5
|
1.0
|
CA
|
D:GLY22
|
4.6
|
21.4
|
1.0
|
CA
|
D:PHE24
|
4.6
|
20.6
|
1.0
|
OE1
|
D:GLN67
|
4.7
|
30.3
|
1.0
|
O
|
D:GLY22
|
4.7
|
21.3
|
1.0
|
C
|
D:PHE24
|
4.7
|
19.9
|
1.0
|
O
|
D:TYR17
|
4.8
|
18.1
|
1.0
|
C
|
D:VAL19
|
4.8
|
18.9
|
1.0
|
C
|
D:LEU27
|
4.9
|
17.6
|
1.0
|
O
|
D:HOH2048
|
4.9
|
36.5
|
1.0
|
CA
|
D:VAL19
|
4.9
|
19.3
|
1.0
|
O
|
D:PHE24
|
4.9
|
18.6
|
1.0
|
CB
|
D:LYS21
|
5.0
|
22.2
|
1.0
|
|
Calcium binding site 8 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 8 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca1093
b:19.3
occ:1.00
|
OD1
|
D:ASN63
|
2.2
|
22.6
|
1.0
|
O
|
D:GLN67
|
2.3
|
19.8
|
1.0
|
O
|
D:HOH2050
|
2.4
|
33.4
|
1.0
|
OE1
|
D:GLU72
|
2.4
|
20.9
|
1.0
|
OD1
|
D:ASP65
|
2.4
|
22.1
|
1.0
|
OE2
|
D:GLU72
|
2.4
|
20.7
|
1.0
|
OD1
|
D:ASP61
|
2.5
|
26.3
|
1.0
|
CD
|
D:GLU72
|
2.8
|
20.3
|
1.0
|
CG
|
D:ASP65
|
3.3
|
23.6
|
1.0
|
CG
|
D:ASN63
|
3.3
|
24.3
|
1.0
|
C
|
D:GLN67
|
3.4
|
20.3
|
1.0
|
OD2
|
D:ASP65
|
3.5
|
26.4
|
1.0
|
CG
|
D:ASP61
|
3.7
|
22.1
|
1.0
|
ND2
|
D:ASN63
|
3.9
|
26.2
|
1.0
|
N
|
D:GLN67
|
4.3
|
21.3
|
1.0
|
CA
|
D:ASP61
|
4.3
|
21.4
|
1.0
|
CG
|
D:GLU72
|
4.3
|
20.8
|
1.0
|
N
|
D:VAL68
|
4.3
|
20.1
|
1.0
|
CA
|
D:GLN67
|
4.3
|
21.3
|
1.0
|
N
|
D:ASP65
|
4.4
|
23.4
|
1.0
|
CA
|
D:VAL68
|
4.4
|
20.0
|
1.0
|
N
|
D:ASN63
|
4.4
|
22.9
|
1.0
|
OD2
|
D:ASP61
|
4.5
|
19.9
|
1.0
|
CB
|
D:ASP61
|
4.5
|
21.3
|
1.0
|
N
|
D:ASP69
|
4.5
|
20.3
|
1.0
|
OD2
|
D:ASP69
|
4.5
|
22.2
|
1.0
|
O
|
D:HOH2054
|
4.5
|
47.5
|
1.0
|
CB
|
D:ASP65
|
4.6
|
23.2
|
1.0
|
C
|
D:ASP61
|
4.6
|
21.5
|
1.0
|
CB
|
D:ASN63
|
4.6
|
23.3
|
1.0
|
CB
|
D:GLN67
|
4.6
|
21.8
|
1.0
|
N
|
D:ALA62
|
4.7
|
21.7
|
1.0
|
N
|
D:GLN64
|
4.8
|
23.2
|
1.0
|
CA
|
D:ASN63
|
4.8
|
23.3
|
1.0
|
CA
|
D:ASP65
|
4.9
|
23.1
|
1.0
|
C
|
D:ASN63
|
4.9
|
23.3
|
1.0
|
CG
|
D:ASP69
|
4.9
|
19.4
|
1.0
|
C
|
D:VAL68
|
5.0
|
20.3
|
1.0
|
|
Calcium binding site 9 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 9 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1092
b:18.6
occ:1.00
|
O
|
E:THR26
|
2.3
|
22.1
|
1.0
|
O
|
E:SER18
|
2.4
|
19.2
|
1.0
|
O
|
E:HOH2055
|
2.4
|
32.3
|
1.0
|
O
|
E:LYS21
|
2.4
|
19.9
|
1.0
|
OE1
|
E:GLU31
|
2.4
|
23.1
|
1.0
|
O
|
E:HIS23
|
2.4
|
19.5
|
1.0
|
OE2
|
E:GLU31
|
2.6
|
19.8
|
1.0
|
CD
|
E:GLU31
|
2.9
|
20.6
|
1.0
|
C
|
E:SER18
|
3.4
|
19.1
|
1.0
|
C
|
E:THR26
|
3.5
|
21.4
|
1.0
|
C
|
E:HIS23
|
3.6
|
19.9
|
1.0
|
C
|
E:LYS21
|
3.6
|
19.8
|
1.0
|
CA
|
E:SER18
|
3.9
|
19.9
|
1.0
|
N
|
E:HIS23
|
4.2
|
20.8
|
1.0
|
N
|
E:LYS21
|
4.2
|
18.9
|
1.0
|
C
|
E:GLY22
|
4.3
|
21.2
|
1.0
|
N
|
E:THR26
|
4.3
|
20.8
|
1.0
|
N
|
E:LEU27
|
4.4
|
21.8
|
1.0
|
CA
|
E:LEU27
|
4.4
|
21.0
|
1.0
|
CG
|
E:GLU31
|
4.4
|
19.8
|
1.0
|
CA
|
E:HIS23
|
4.4
|
20.9
|
1.0
|
N
|
E:SER28
|
4.5
|
20.4
|
1.0
|
CA
|
E:LYS21
|
4.5
|
20.0
|
1.0
|
CA
|
E:THR26
|
4.5
|
21.0
|
1.0
|
OG1
|
E:THR26
|
4.5
|
20.3
|
1.0
|
N
|
E:PHE24
|
4.5
|
18.9
|
1.0
|
N
|
E:VAL19
|
4.6
|
19.5
|
1.0
|
N
|
E:GLY22
|
4.6
|
20.3
|
1.0
|
CA
|
E:PHE24
|
4.6
|
19.9
|
1.0
|
O
|
E:TYR17
|
4.6
|
19.7
|
1.0
|
O
|
E:GLY22
|
4.6
|
21.9
|
1.0
|
CB
|
E:SER18
|
4.6
|
19.9
|
1.0
|
C
|
E:PHE24
|
4.6
|
19.7
|
1.0
|
CA
|
E:GLY22
|
4.7
|
20.8
|
1.0
|
N
|
E:ARG20
|
4.7
|
18.4
|
1.0
|
OE1
|
E:GLN67
|
4.7
|
35.7
|
1.0
|
C
|
E:VAL19
|
4.9
|
18.9
|
1.0
|
C
|
E:LEU27
|
4.9
|
20.5
|
1.0
|
O
|
E:PHE24
|
4.9
|
19.8
|
1.0
|
CA
|
E:VAL19
|
4.9
|
19.4
|
1.0
|
CB
|
E:HIS23
|
5.0
|
21.3
|
1.0
|
N
|
E:ASP25
|
5.0
|
19.8
|
1.0
|
|
Calcium binding site 10 out
of 12 in 1odb
Go back to
Calcium Binding Sites List in 1odb
Calcium binding site 10 out
of 12 in the The Crystal Structure of Human S100A12 - Copper Complex
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of The Crystal Structure of Human S100A12 - Copper Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1093
b:17.0
occ:1.00
|
O
|
E:GLN67
|
2.3
|
20.8
|
1.0
|
OD1
|
E:ASP65
|
2.3
|
20.8
|
1.0
|
OD1
|
E:ASN63
|
2.3
|
18.7
|
1.0
|
OE1
|
E:GLU72
|
2.4
|
19.3
|
1.0
|
OD1
|
E:ASP61
|
2.4
|
19.8
|
1.0
|
O
|
E:HOH2059
|
2.4
|
30.9
|
1.0
|
OE2
|
E:GLU72
|
2.5
|
20.3
|
1.0
|
CD
|
E:GLU72
|
2.8
|
20.0
|
1.0
|
CG
|
E:ASP65
|
3.3
|
21.4
|
1.0
|
CG
|
E:ASN63
|
3.4
|
18.9
|
1.0
|
C
|
E:GLN67
|
3.5
|
21.5
|
1.0
|
CG
|
E:ASP61
|
3.5
|
18.3
|
1.0
|
OD2
|
E:ASP65
|
3.7
|
19.2
|
1.0
|
ND2
|
E:ASN63
|
3.9
|
21.7
|
1.0
|
CA
|
E:ASP61
|
4.0
|
18.2
|
1.0
|
CB
|
E:ASP61
|
4.2
|
18.5
|
1.0
|
N
|
E:ASP65
|
4.2
|
20.5
|
1.0
|
N
|
E:GLN67
|
4.3
|
21.4
|
1.0
|
CG
|
E:GLU72
|
4.3
|
19.5
|
1.0
|
OD2
|
E:ASP61
|
4.3
|
19.4
|
1.0
|
N
|
E:VAL68
|
4.4
|
21.2
|
1.0
|
C
|
E:ASP61
|
4.4
|
18.0
|
1.0
|
CA
|
E:GLN67
|
4.4
|
22.2
|
1.0
|
N
|
E:ASN63
|
4.4
|
18.3
|
1.0
|
CA
|
E:VAL68
|
4.4
|
21.7
|
1.0
|
CB
|
E:ASP65
|
4.4
|
21.2
|
1.0
|
O
|
E:HOH2063
|
4.5
|
39.9
|
1.0
|
N
|
E:ALA62
|
4.6
|
18.3
|
1.0
|
N
|
E:ASP69
|
4.6
|
21.7
|
1.0
|
OD2
|
E:ASP69
|
4.6
|
20.8
|
1.0
|
CB
|
E:ASN63
|
4.6
|
19.2
|
1.0
|
N
|
E:GLN64
|
4.6
|
19.4
|
1.0
|
CB
|
E:GLN67
|
4.7
|
23.3
|
1.0
|
CA
|
E:ASP65
|
4.7
|
21.0
|
1.0
|
C
|
E:ASN63
|
4.8
|
19.4
|
1.0
|
CA
|
E:ASN63
|
4.8
|
18.9
|
1.0
|
N
|
E:GLU66
|
4.9
|
21.0
|
1.0
|
O
|
E:ASP61
|
5.0
|
16.3
|
1.0
|
C
|
E:ASP65
|
5.0
|
21.1
|
1.0
|
CG
|
E:ASP69
|
5.0
|
20.6
|
1.0
|
|
Reference:
O.V.Moroz,
A.A.Antson,
S.J.Grist,
N.J.Maitland,
G.G.Dodson,
K.S.Wilson,
E.M.Lukanidin,
I.B.Bronstein.
Structure of the Human S100A12-Copper Complex: Implications For Host-Parasite Defence Acta Crystallogr.,Sect.D V. 59 859 2003.
ISSN: ISSN 0907-4449
PubMed: 12777802
DOI: 10.1107/S0907444903004700
Page generated: Thu Jul 11 13:19:18 2024
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