Calcium in PDB 4ggf: Crystal Structure of MN2+ Bound Calprotectin
Protein crystallography data
The structure of Crystal Structure of MN2+ Bound Calprotectin, PDB code: 4ggf
was solved by
S.M.Damo,
G.Fritz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.64 /
1.60
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
82.027,
217.002,
53.022,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.7 /
20.2
|
Other elements in 4ggf:
The structure of Crystal Structure of MN2+ Bound Calprotectin 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 Crystal Structure of MN2+ Bound Calprotectin
(pdb code 4ggf). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the
Crystal Structure of MN2+ Bound Calprotectin, PDB code: 4ggf:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 1 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca101
b:15.6
occ:1.00
|
O
|
A:ALA65
|
2.3
|
18.0
|
1.0
|
|
OD1
|
A:ASN61
|
2.3
|
15.4
|
1.0
|
|
OD1
|
A:ASP59
|
2.4
|
16.2
|
1.0
|
|
O
|
A:HOH203
|
2.4
|
19.4
|
1.0
|
|
OE2
|
A:GLU70
|
2.5
|
15.8
|
1.0
|
|
OD1
|
A:ASP63
|
2.5
|
17.5
|
1.0
|
|
OE1
|
A:GLU70
|
2.5
|
16.3
|
1.0
|
|
CD
|
A:GLU70
|
2.8
|
15.3
|
1.0
|
|
CG
|
A:ASP63
|
3.3
|
18.7
|
1.0
|
|
CG
|
A:ASP59
|
3.5
|
17.2
|
1.0
|
|
CG
|
A:ASN61
|
3.5
|
15.8
|
1.0
|
|
C
|
A:ALA65
|
3.5
|
17.9
|
1.0
|
|
OD2
|
A:ASP63
|
3.6
|
19.6
|
1.0
|
|
CA
|
A:ASP59
|
4.0
|
15.6
|
1.0
|
|
ND2
|
A:ASN61
|
4.0
|
15.1
|
1.0
|
|
CB
|
A:ASP59
|
4.2
|
16.3
|
1.0
|
|
N
|
A:ALA65
|
4.2
|
19.6
|
1.0
|
|
OD2
|
A:ASP59
|
4.3
|
17.8
|
1.0
|
|
CG
|
A:GLU70
|
4.3
|
15.1
|
1.0
|
|
C
|
A:ASP59
|
4.4
|
15.6
|
1.0
|
|
N
|
A:ASN61
|
4.4
|
16.0
|
1.0
|
|
N
|
A:ASP63
|
4.4
|
19.3
|
1.0
|
|
N
|
A:VAL66
|
4.4
|
17.2
|
1.0
|
|
CA
|
A:ALA65
|
4.4
|
19.3
|
1.0
|
|
N
|
A:ILE60
|
4.4
|
15.0
|
0.6
|
|
CA
|
A:VAL66
|
4.4
|
16.4
|
1.0
|
|
N
|
A:ILE60
|
4.4
|
15.2
|
0.4
|
|
CB
|
A:ASP63
|
4.5
|
19.0
|
1.0
|
|
N
|
A:ASN67
|
4.6
|
15.7
|
1.0
|
|
CE
|
L:MET81
|
4.7
|
16.9
|
0.6
|
|
CB
|
A:ASN61
|
4.7
|
16.0
|
1.0
|
|
N
|
A:THR62
|
4.8
|
17.3
|
0.6
|
|
N
|
A:THR62
|
4.8
|
17.4
|
0.4
|
|
CA
|
A:ASP63
|
4.9
|
19.6
|
1.0
|
|
CA
|
A:ASN61
|
4.9
|
16.1
|
1.0
|
|
CE
|
L:MET81
|
4.9
|
18.1
|
0.4
|
|
CB
|
A:ALA65
|
5.0
|
20.3
|
1.0
|
|
C
|
A:ASN61
|
5.0
|
17.7
|
1.0
|
|
Calcium binding site 2 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 2 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca203
b:17.8
occ:1.00
|
O
|
C:GLN73
|
2.2
|
18.6
|
0.2
|
|
OD1
|
C:ASP67
|
2.3
|
17.0
|
1.0
|
|
O
|
C:GLN73
|
2.3
|
19.4
|
0.8
|
|
OD1
|
C:ASN69
|
2.3
|
21.4
|
1.0
|
|
OE1
|
C:GLU78
|
2.3
|
16.8
|
1.0
|
|
OD1
|
C:ASP71
|
2.4
|
24.0
|
1.0
|
|
O
|
C:HOH305
|
2.4
|
21.2
|
1.0
|
|
OE2
|
C:GLU78
|
2.6
|
18.0
|
1.0
|
|
CD
|
C:GLU78
|
2.8
|
17.8
|
1.0
|
|
CG
|
C:ASP71
|
3.3
|
26.1
|
1.0
|
|
CG
|
C:ASN69
|
3.3
|
22.2
|
1.0
|
|
C
|
C:GLN73
|
3.4
|
19.1
|
0.2
|
|
C
|
C:GLN73
|
3.4
|
19.9
|
0.8
|
|
CG
|
C:ASP67
|
3.5
|
16.9
|
1.0
|
|
OD2
|
C:ASP71
|
3.7
|
26.5
|
1.0
|
|
ND2
|
C:ASN69
|
3.9
|
26.0
|
1.0
|
|
N
|
C:GLN73
|
4.2
|
22.3
|
0.2
|
|
N
|
C:GLN73
|
4.2
|
22.6
|
0.8
|
|
N
|
C:ASP71
|
4.2
|
25.4
|
1.0
|
|
CA
|
C:ASP67
|
4.3
|
15.0
|
1.0
|
|
OD2
|
C:ASP67
|
4.3
|
18.5
|
1.0
|
|
N
|
C:LEU74
|
4.3
|
18.3
|
1.0
|
|
CA
|
C:LEU74
|
4.3
|
16.2
|
1.0
|
|
N
|
C:ASN69
|
4.3
|
18.8
|
1.0
|
|
CA
|
C:GLN73
|
4.3
|
22.6
|
0.8
|
|
CG
|
C:GLU78
|
4.3
|
15.5
|
1.0
|
|
CA
|
C:GLN73
|
4.4
|
20.8
|
0.2
|
|
CB
|
C:ASP67
|
4.4
|
15.7
|
1.0
|
|
N
|
C:SER75
|
4.4
|
15.4
|
1.0
|
|
CB
|
C:ASP71
|
4.5
|
26.4
|
1.0
|
|
C
|
C:ASP67
|
4.5
|
15.5
|
1.0
|
|
N
|
C:ALA70
|
4.5
|
21.4
|
1.0
|
|
CB
|
C:ASN69
|
4.5
|
21.8
|
1.0
|
|
CB
|
C:GLN73
|
4.6
|
23.1
|
0.8
|
|
N
|
C:THR68
|
4.6
|
15.9
|
0.5
|
|
N
|
C:THR68
|
4.7
|
15.9
|
0.5
|
|
C
|
C:ASN69
|
4.7
|
22.3
|
1.0
|
|
CA
|
C:ASN69
|
4.7
|
20.9
|
1.0
|
|
CA
|
C:ASP71
|
4.8
|
26.2
|
1.0
|
|
CB
|
C:GLN73
|
4.8
|
20.5
|
0.2
|
|
C
|
C:LEU74
|
4.8
|
16.2
|
1.0
|
|
O
|
K:HOH209
|
4.9
|
18.2
|
1.0
|
|
N
|
C:LYS72
|
4.9
|
26.4
|
1.0
|
|
O
|
C:ASP67
|
5.0
|
16.9
|
1.0
|
|
Calcium binding site 3 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 3 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca204
b:18.6
occ:1.00
|
O
|
C:LEU26
|
2.4
|
20.1
|
1.0
|
|
O
|
C:SER23
|
2.4
|
17.1
|
1.0
|
|
O
|
C:HIS28
|
2.4
|
19.8
|
1.0
|
|
OE1
|
C:GLU36
|
2.4
|
20.0
|
1.0
|
|
O
|
C:THR31
|
2.4
|
17.0
|
1.0
|
|
O
|
C:HOH327
|
2.5
|
22.1
|
1.0
|
|
OE2
|
C:GLU36
|
2.6
|
19.6
|
1.0
|
|
CD
|
C:GLU36
|
2.9
|
19.8
|
1.0
|
|
C
|
C:SER23
|
3.4
|
17.0
|
1.0
|
|
C
|
C:HIS28
|
3.6
|
21.1
|
1.0
|
|
C
|
C:LEU26
|
3.6
|
22.0
|
1.0
|
|
C
|
C:THR31
|
3.6
|
17.9
|
1.0
|
|
CA
|
C:SER23
|
3.9
|
16.4
|
1.0
|
|
N
|
C:HIS28
|
4.1
|
22.3
|
1.0
|
|
N
|
C:LEU26
|
4.1
|
21.6
|
1.0
|
|
C
|
C:GLY27
|
4.2
|
22.7
|
1.0
|
|
N
|
C:ASN33
|
4.4
|
18.2
|
1.0
|
|
CA
|
C:LEU26
|
4.4
|
22.8
|
1.0
|
|
CG
|
C:GLU36
|
4.4
|
18.8
|
1.0
|
|
CA
|
C:HIS28
|
4.4
|
22.7
|
1.0
|
|
CA
|
C:LEU32
|
4.5
|
17.1
|
1.0
|
|
N
|
C:THR31
|
4.5
|
19.3
|
1.0
|
|
N
|
C:LEU32
|
4.5
|
17.0
|
1.0
|
|
N
|
C:PRO29
|
4.5
|
21.6
|
1.0
|
|
CA
|
C:PRO29
|
4.5
|
21.1
|
1.0
|
|
OG1
|
C:THR31
|
4.5
|
20.8
|
1.0
|
|
CB
|
C:SER23
|
4.6
|
16.5
|
1.0
|
|
O
|
C:TYR22
|
4.6
|
17.8
|
1.0
|
|
NE2
|
C:GLN73
|
4.6
|
26.3
|
0.8
|
|
N
|
C:GLY27
|
4.6
|
23.4
|
1.0
|
|
N
|
C:VAL24
|
4.6
|
17.4
|
1.0
|
|
O
|
C:GLY27
|
4.6
|
23.2
|
1.0
|
|
CA
|
C:GLY27
|
4.6
|
23.6
|
1.0
|
|
CA
|
C:THR31
|
4.6
|
18.8
|
1.0
|
|
N
|
C:LYS25
|
4.8
|
18.0
|
1.0
|
|
C
|
C:PRO29
|
4.8
|
21.1
|
1.0
|
|
C
|
C:LEU32
|
4.8
|
17.8
|
1.0
|
|
CB
|
C:HIS28
|
4.9
|
23.9
|
1.0
|
|
C
|
C:VAL24
|
5.0
|
18.9
|
1.0
|
|
CB
|
C:LEU26
|
5.0
|
25.0
|
1.0
|
|
CG
|
C:ASN33
|
5.0
|
20.3
|
1.0
|
|
Calcium binding site 4 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 4 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Ca102
b:14.9
occ:1.00
|
O
|
K:HOH240
|
2.3
|
16.6
|
1.0
|
|
OD1
|
K:ASN61
|
2.3
|
14.7
|
1.0
|
|
O
|
K:ALA65
|
2.4
|
14.3
|
1.0
|
|
OD1
|
K:ASP59
|
2.4
|
15.8
|
1.0
|
|
OE2
|
K:GLU70
|
2.4
|
14.6
|
1.0
|
|
OD1
|
K:ASP63
|
2.5
|
15.5
|
1.0
|
|
OE1
|
K:GLU70
|
2.5
|
15.2
|
1.0
|
|
CD
|
K:GLU70
|
2.8
|
14.6
|
1.0
|
|
CG
|
K:ASP63
|
3.3
|
16.2
|
1.0
|
|
CG
|
K:ASP59
|
3.5
|
15.5
|
1.0
|
|
CG
|
K:ASN61
|
3.5
|
14.9
|
1.0
|
|
C
|
K:ALA65
|
3.5
|
15.5
|
1.0
|
|
OD2
|
K:ASP63
|
3.7
|
16.8
|
1.0
|
|
CA
|
K:ASP59
|
4.0
|
14.7
|
1.0
|
|
ND2
|
K:ASN61
|
4.1
|
14.3
|
1.0
|
|
CB
|
K:ASP59
|
4.2
|
15.3
|
1.0
|
|
N
|
K:ALA65
|
4.3
|
15.7
|
1.0
|
|
CG
|
K:GLU70
|
4.3
|
14.6
|
1.0
|
|
OD2
|
K:ASP59
|
4.4
|
15.8
|
1.0
|
|
C
|
K:ASP59
|
4.4
|
16.3
|
1.0
|
|
N
|
K:ASP63
|
4.4
|
17.2
|
1.0
|
|
N
|
K:ASN61
|
4.4
|
14.9
|
1.0
|
|
N
|
K:ILE60
|
4.4
|
15.2
|
0.2
|
|
N
|
K:VAL66
|
4.4
|
15.1
|
1.0
|
|
N
|
K:ILE60
|
4.4
|
15.3
|
0.8
|
|
CA
|
K:ALA65
|
4.5
|
15.7
|
1.0
|
|
CB
|
K:ASP63
|
4.5
|
16.2
|
1.0
|
|
CA
|
K:VAL66
|
4.5
|
14.5
|
1.0
|
|
N
|
K:ASN67
|
4.5
|
14.3
|
1.0
|
|
CE
|
C:MET81
|
4.5
|
14.1
|
0.5
|
|
CB
|
K:ASN61
|
4.7
|
14.2
|
1.0
|
|
N
|
K:THR62
|
4.8
|
15.6
|
1.0
|
|
CA
|
K:ASP63
|
4.8
|
16.1
|
1.0
|
|
CA
|
K:ASN61
|
4.9
|
14.8
|
1.0
|
|
C
|
K:ASN61
|
4.9
|
15.2
|
1.0
|
|
CE
|
C:MET81
|
5.0
|
16.1
|
0.5
|
|
C
|
K:VAL66
|
5.0
|
14.4
|
1.0
|
|
Calcium binding site 5 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 5 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Ca204
b:19.4
occ:1.00
|
OE1
|
L:GLU78
|
2.3
|
20.5
|
1.0
|
|
OD1
|
L:ASP67
|
2.3
|
19.6
|
1.0
|
|
O
|
L:HOH354
|
2.3
|
26.1
|
1.0
|
|
OD1
|
L:ASN69
|
2.3
|
22.4
|
1.0
|
|
O
|
L:GLN73
|
2.3
|
18.8
|
1.0
|
|
OD1
|
L:ASP71
|
2.4
|
23.1
|
1.0
|
|
OE2
|
L:GLU78
|
2.5
|
18.2
|
1.0
|
|
CD
|
L:GLU78
|
2.8
|
19.1
|
1.0
|
|
CG
|
L:ASP71
|
3.3
|
23.6
|
1.0
|
|
CG
|
L:ASN69
|
3.4
|
23.6
|
1.0
|
|
CG
|
L:ASP67
|
3.5
|
19.8
|
1.0
|
|
C
|
L:GLN73
|
3.5
|
20.3
|
1.0
|
|
OD2
|
L:ASP71
|
3.7
|
23.8
|
1.0
|
|
ND2
|
L:ASN69
|
4.1
|
26.5
|
1.0
|
|
N
|
L:GLN73
|
4.2
|
22.6
|
1.0
|
|
CA
|
L:ASP67
|
4.3
|
18.6
|
1.0
|
|
N
|
L:ASP71
|
4.3
|
24.0
|
1.0
|
|
OD2
|
L:ASP67
|
4.3
|
21.0
|
1.0
|
|
N
|
L:ASN69
|
4.3
|
21.3
|
1.0
|
|
CG
|
L:GLU78
|
4.3
|
17.4
|
1.0
|
|
CB
|
L:ASP67
|
4.3
|
18.8
|
1.0
|
|
CA
|
L:LEU74
|
4.4
|
17.9
|
1.0
|
|
CA
|
L:GLN73
|
4.4
|
22.3
|
1.0
|
|
N
|
L:LEU74
|
4.4
|
18.5
|
1.0
|
|
C
|
L:ASP67
|
4.4
|
20.0
|
1.0
|
|
CB
|
L:ASP71
|
4.5
|
25.7
|
1.0
|
|
CB
|
L:ASN69
|
4.5
|
22.8
|
1.0
|
|
N
|
L:THR68
|
4.5
|
20.7
|
0.7
|
|
N
|
L:SER75
|
4.5
|
17.3
|
1.0
|
|
CB
|
L:GLN73
|
4.6
|
23.8
|
1.0
|
|
N
|
L:ALA70
|
4.6
|
22.7
|
1.0
|
|
N
|
L:THR68
|
4.6
|
19.9
|
0.3
|
|
CA
|
L:ASN69
|
4.7
|
22.0
|
1.0
|
|
C
|
L:ASN69
|
4.7
|
22.9
|
1.0
|
|
O
|
A:HOH208
|
4.8
|
20.5
|
1.0
|
|
CA
|
L:ASP71
|
4.8
|
25.4
|
1.0
|
|
C
|
L:LEU74
|
4.9
|
17.1
|
1.0
|
|
N
|
L:LYS72
|
4.9
|
24.1
|
1.0
|
|
O
|
L:ASP67
|
5.0
|
20.0
|
1.0
|
|
Calcium binding site 6 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 6 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Ca205
b:19.5
occ:1.00
|
O
|
L:HIS28
|
2.3
|
23.3
|
1.0
|
|
O
|
L:SER23
|
2.3
|
18.4
|
1.0
|
|
OE1
|
L:GLU36
|
2.4
|
18.8
|
1.0
|
|
O
|
L:THR31
|
2.4
|
20.3
|
1.0
|
|
O
|
L:HOH317
|
2.5
|
25.2
|
1.0
|
|
O
|
L:LEU26
|
2.5
|
23.0
|
1.0
|
|
OE2
|
L:GLU36
|
2.5
|
19.4
|
1.0
|
|
CD
|
L:GLU36
|
2.8
|
19.4
|
1.0
|
|
C
|
L:SER23
|
3.4
|
18.0
|
1.0
|
|
C
|
L:HIS28
|
3.5
|
25.8
|
1.0
|
|
C
|
L:THR31
|
3.6
|
20.2
|
1.0
|
|
C
|
L:LEU26
|
3.7
|
24.0
|
1.0
|
|
CA
|
L:SER23
|
3.9
|
17.6
|
1.0
|
|
N
|
L:HIS28
|
4.1
|
27.3
|
1.0
|
|
N
|
L:LEU26
|
4.1
|
21.7
|
1.0
|
|
C
|
L:GLY27
|
4.3
|
26.6
|
1.0
|
|
CG
|
L:GLU36
|
4.3
|
18.5
|
1.0
|
|
CA
|
L:HIS28
|
4.3
|
27.7
|
1.0
|
|
N
|
L:ASN33
|
4.4
|
19.9
|
1.0
|
|
N
|
L:PRO29
|
4.4
|
26.8
|
1.0
|
|
CA
|
L:LEU32
|
4.4
|
18.7
|
1.0
|
|
CA
|
L:LEU26
|
4.4
|
23.5
|
1.0
|
|
CA
|
L:PRO29
|
4.5
|
26.1
|
1.0
|
|
N
|
L:LEU32
|
4.5
|
18.7
|
1.0
|
|
N
|
L:THR31
|
4.5
|
22.4
|
1.0
|
|
CB
|
L:SER23
|
4.5
|
17.4
|
1.0
|
|
N
|
L:VAL24
|
4.5
|
18.3
|
1.0
|
|
O
|
L:TYR22
|
4.6
|
18.6
|
1.0
|
|
CA
|
L:THR31
|
4.6
|
21.4
|
1.0
|
|
OE1
|
L:GLN73
|
4.6
|
28.6
|
1.0
|
|
OG1
|
L:THR31
|
4.7
|
22.9
|
1.0
|
|
N
|
L:GLY27
|
4.7
|
25.8
|
1.0
|
|
O
|
L:GLY27
|
4.7
|
26.4
|
1.0
|
|
CA
|
L:GLY27
|
4.7
|
26.8
|
1.0
|
|
C
|
L:PRO29
|
4.7
|
25.4
|
1.0
|
|
O2
|
L:SO4203
|
4.7
|
44.3
|
1.0
|
|
N
|
L:LYS25
|
4.8
|
19.2
|
1.0
|
|
C
|
L:LEU32
|
4.8
|
19.2
|
1.0
|
|
CB
|
L:LEU26
|
4.9
|
24.6
|
1.0
|
|
CB
|
L:HIS28
|
4.9
|
29.0
|
1.0
|
|
C
|
L:VAL24
|
4.9
|
19.9
|
1.0
|
|
CA
|
L:VAL24
|
5.0
|
19.5
|
1.0
|
|
O
|
L:PRO29
|
5.0
|
24.5
|
1.0
|
|
ND2
|
L:ASN33
|
5.0
|
22.9
|
1.0
|
|
Calcium binding site 7 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 7 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Ca101
b:16.1
occ:1.00
|
O
|
S:HOH235
|
2.3
|
19.1
|
1.0
|
|
OD1
|
S:ASP59
|
2.3
|
17.3
|
1.0
|
|
O
|
S:ALA65
|
2.4
|
16.0
|
1.0
|
|
OD1
|
S:ASN61
|
2.4
|
18.0
|
1.0
|
|
OD1
|
S:ASP63
|
2.4
|
17.3
|
1.0
|
|
OE1
|
S:GLU70
|
2.5
|
15.0
|
1.0
|
|
OE2
|
S:GLU70
|
2.5
|
16.2
|
1.0
|
|
CD
|
S:GLU70
|
2.9
|
16.0
|
1.0
|
|
CG
|
S:ASP63
|
3.3
|
18.2
|
1.0
|
|
CG
|
S:ASP59
|
3.4
|
17.3
|
1.0
|
|
CG
|
S:ASN61
|
3.5
|
19.4
|
1.0
|
|
C
|
S:ALA65
|
3.6
|
15.6
|
1.0
|
|
OD2
|
S:ASP63
|
3.7
|
20.0
|
1.0
|
|
CA
|
S:ASP59
|
4.1
|
17.1
|
1.0
|
|
ND2
|
S:ASN61
|
4.1
|
19.1
|
1.0
|
|
CB
|
S:ASP59
|
4.3
|
17.5
|
1.0
|
|
OD2
|
S:ASP59
|
4.3
|
18.5
|
1.0
|
|
N
|
S:ALA65
|
4.3
|
16.4
|
1.0
|
|
N
|
S:ASP63
|
4.4
|
18.3
|
1.0
|
|
CG
|
S:GLU70
|
4.4
|
15.4
|
1.0
|
|
N
|
S:ASN61
|
4.4
|
18.8
|
1.0
|
|
C
|
S:ASP59
|
4.4
|
17.8
|
1.0
|
|
CE
|
V:MET81
|
4.4
|
18.1
|
0.5
|
|
N
|
S:VAL66
|
4.5
|
14.7
|
1.0
|
|
N
|
S:ILE60
|
4.5
|
17.8
|
0.3
|
|
CA
|
S:VAL66
|
4.5
|
14.4
|
1.0
|
|
CA
|
S:ALA65
|
4.5
|
15.9
|
1.0
|
|
N
|
S:ILE60
|
4.5
|
17.8
|
0.7
|
|
CB
|
S:ASP63
|
4.5
|
18.0
|
1.0
|
|
N
|
S:ASN67
|
4.6
|
14.2
|
1.0
|
|
CB
|
S:ASN61
|
4.7
|
19.6
|
1.0
|
|
N
|
S:THR62
|
4.8
|
20.6
|
1.0
|
|
CA
|
S:ASP63
|
4.8
|
18.2
|
1.0
|
|
O
|
S:HOH247
|
4.9
|
29.3
|
1.0
|
|
CA
|
S:ASN61
|
4.9
|
19.8
|
1.0
|
|
C
|
S:ASN61
|
5.0
|
20.7
|
1.0
|
|
CE
|
V:MET81
|
5.0
|
14.1
|
0.5
|
|
N
|
S:GLY64
|
5.0
|
17.7
|
1.0
|
|
C
|
S:VAL66
|
5.0
|
14.1
|
1.0
|
|
Calcium binding site 8 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 8 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Ca203
b:18.9
occ:1.00
|
O
|
T:LEU26
|
2.3
|
21.2
|
1.0
|
|
O
|
T:SER23
|
2.4
|
17.5
|
1.0
|
|
O
|
T:THR31
|
2.4
|
20.2
|
1.0
|
|
OE1
|
T:GLU36
|
2.4
|
20.0
|
1.0
|
|
O
|
T:HIS28
|
2.4
|
22.5
|
1.0
|
|
O
|
T:HOH317
|
2.4
|
24.5
|
1.0
|
|
OE2
|
T:GLU36
|
2.5
|
20.6
|
1.0
|
|
CD
|
T:GLU36
|
2.8
|
19.6
|
1.0
|
|
C
|
T:SER23
|
3.4
|
17.5
|
1.0
|
|
C
|
T:LEU26
|
3.5
|
22.5
|
1.0
|
|
C
|
T:HIS28
|
3.6
|
23.4
|
1.0
|
|
C
|
T:THR31
|
3.7
|
20.4
|
1.0
|
|
CA
|
T:SER23
|
3.9
|
17.4
|
1.0
|
|
N
|
T:HIS28
|
4.1
|
24.6
|
1.0
|
|
N
|
T:LEU26
|
4.1
|
20.6
|
1.0
|
|
C
|
T:GLY27
|
4.3
|
24.1
|
1.0
|
|
CG
|
T:GLU36
|
4.3
|
19.1
|
1.0
|
|
CA
|
T:LEU26
|
4.4
|
22.1
|
1.0
|
|
N
|
T:ASN33
|
4.4
|
20.3
|
1.0
|
|
CA
|
T:HIS28
|
4.4
|
24.4
|
1.0
|
|
CA
|
T:PRO29
|
4.5
|
23.4
|
1.0
|
|
N
|
T:THR31
|
4.5
|
21.5
|
1.0
|
|
CA
|
T:LEU32
|
4.5
|
18.9
|
1.0
|
|
N
|
T:PRO29
|
4.5
|
23.9
|
1.0
|
|
N
|
T:LEU32
|
4.5
|
19.4
|
1.0
|
|
N
|
T:GLY27
|
4.5
|
23.8
|
1.0
|
|
O
|
T:TYR22
|
4.6
|
18.8
|
1.0
|
|
O
|
T:GLY27
|
4.6
|
24.6
|
1.0
|
|
N
|
T:VAL24
|
4.6
|
18.0
|
1.0
|
|
OG1
|
T:THR31
|
4.6
|
21.6
|
1.0
|
|
CA
|
T:THR31
|
4.6
|
20.8
|
1.0
|
|
CB
|
T:SER23
|
4.6
|
17.6
|
1.0
|
|
CA
|
T:GLY27
|
4.7
|
25.1
|
1.0
|
|
NE2
|
T:GLN73
|
4.7
|
26.1
|
0.8
|
|
N
|
T:LYS25
|
4.7
|
18.3
|
1.0
|
|
C
|
T:PRO29
|
4.7
|
22.8
|
1.0
|
|
NE2
|
T:GLN73
|
4.8
|
25.9
|
0.2
|
|
C
|
T:LEU32
|
4.8
|
19.9
|
1.0
|
|
CB
|
T:HIS28
|
4.9
|
26.1
|
1.0
|
|
CB
|
T:LEU26
|
4.9
|
23.7
|
1.0
|
|
C
|
T:VAL24
|
4.9
|
18.6
|
1.0
|
|
Calcium binding site 9 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 9 out
of 12 in the Crystal Structure of MN2+ 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 MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Ca204
b:20.4
occ:1.00
|
OD1
|
T:ASN69
|
2.3
|
24.9
|
1.0
|
|
OD1
|
T:ASP67
|
2.3
|
23.4
|
1.0
|
|
O
|
T:GLN73
|
2.3
|
23.2
|
0.8
|
|
O
|
T:GLN73
|
2.4
|
23.3
|
0.2
|
|
OD1
|
T:ASP71
|
2.4
|
27.9
|
1.0
|
|
O
|
T:HOH343
|
2.5
|
26.1
|
1.0
|
|
OE1
|
T:GLU78
|
2.5
|
21.1
|
1.0
|
|
OE2
|
T:GLU78
|
2.5
|
22.5
|
1.0
|
|
CD
|
T:GLU78
|
2.9
|
21.2
|
1.0
|
|
CG
|
T:ASP71
|
3.3
|
29.0
|
1.0
|
|
CG
|
T:ASN69
|
3.4
|
26.3
|
1.0
|
|
C
|
T:GLN73
|
3.5
|
23.2
|
0.2
|
|
CG
|
T:ASP67
|
3.5
|
23.7
|
1.0
|
|
C
|
T:GLN73
|
3.5
|
23.1
|
0.8
|
|
OD2
|
T:ASP71
|
3.7
|
29.2
|
1.0
|
|
ND2
|
T:ASN69
|
4.0
|
28.9
|
1.0
|
|
N
|
T:ASP71
|
4.2
|
31.1
|
1.0
|
|
N
|
T:ASN69
|
4.2
|
25.0
|
1.0
|
|
N
|
T:GLN73
|
4.2
|
26.2
|
0.2
|
|
N
|
T:GLN73
|
4.3
|
26.0
|
0.8
|
|
CA
|
T:ASP67
|
4.3
|
21.8
|
1.0
|
|
CA
|
T:GLN73
|
4.3
|
24.7
|
0.2
|
|
OD2
|
T:ASP67
|
4.3
|
24.6
|
1.0
|
|
CG
|
T:GLU78
|
4.4
|
20.2
|
1.0
|
|
CB
|
T:GLN73
|
4.4
|
24.8
|
0.2
|
|
CB
|
T:ASP67
|
4.4
|
22.8
|
1.0
|
|
CA
|
T:GLN73
|
4.4
|
24.8
|
0.8
|
|
N
|
T:LEU74
|
4.4
|
21.7
|
1.0
|
|
CA
|
T:LEU74
|
4.4
|
20.3
|
1.0
|
|
C
|
T:ASP67
|
4.4
|
23.0
|
1.0
|
|
N
|
T:SER75
|
4.5
|
19.0
|
1.0
|
|
N
|
T:ALA70
|
4.5
|
25.9
|
1.0
|
|
CB
|
T:ASP71
|
4.5
|
30.3
|
1.0
|
|
CB
|
T:ASN69
|
4.5
|
26.6
|
1.0
|
|
N
|
T:THR68
|
4.5
|
22.6
|
1.0
|
|
CB
|
T:GLN73
|
4.6
|
25.0
|
0.8
|
|
CA
|
T:ASN69
|
4.7
|
26.0
|
1.0
|
|
C
|
T:ASN69
|
4.7
|
26.6
|
1.0
|
|
CA
|
T:ASP71
|
4.8
|
31.0
|
1.0
|
|
O
|
U:HOH213
|
4.8
|
24.9
|
1.0
|
|
O
|
T:ASP67
|
4.9
|
23.8
|
1.0
|
|
C
|
T:LEU74
|
4.9
|
19.4
|
1.0
|
|
N
|
T:LYS72
|
4.9
|
29.8
|
1.0
|
|
Calcium binding site 10 out
of 12 in 4ggf
Go back to
Calcium Binding Sites List in 4ggf
Calcium binding site 10 out
of 12 in the Crystal Structure of MN2+ Bound Calprotectin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Crystal Structure of MN2+ Bound Calprotectin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
U:Ca101
b:19.4
occ:1.00
|
OD1
|
U:ASP59
|
2.2
|
19.7
|
1.0
|
|
O
|
U:HOH216
|
2.3
|
21.5
|
1.0
|
|
O
|
U:ALA65
|
2.3
|
20.3
|
1.0
|
|
OD1
|
U:ASN61
|
2.3
|
20.7
|
1.0
|
|
OD1
|
U:ASP63
|
2.4
|
22.4
|
1.0
|
|
OE1
|
U:GLU70
|
2.4
|
20.0
|
1.0
|
|
OE2
|
U:GLU70
|
2.5
|
20.1
|
1.0
|
|
CD
|
U:GLU70
|
2.8
|
19.4
|
1.0
|
|
CG
|
U:ASP63
|
3.3
|
21.8
|
1.0
|
|
CG
|
U:ASP59
|
3.4
|
22.0
|
1.0
|
|
CG
|
U:ASN61
|
3.5
|
19.9
|
1.0
|
|
C
|
U:ALA65
|
3.5
|
22.2
|
1.0
|
|
OD2
|
U:ASP63
|
3.6
|
23.6
|
1.0
|
|
CA
|
U:ASP59
|
4.0
|
20.9
|
1.0
|
|
ND2
|
U:ASN61
|
4.1
|
19.1
|
1.0
|
|
CB
|
U:ASP59
|
4.2
|
21.8
|
1.0
|
|
OD2
|
U:ASP59
|
4.3
|
23.2
|
1.0
|
|
N
|
U:ALA65
|
4.3
|
22.7
|
1.0
|
|
CG
|
U:GLU70
|
4.4
|
18.4
|
1.0
|
|
C
|
U:ASP59
|
4.4
|
20.4
|
1.0
|
|
N
|
U:ASP63
|
4.4
|
21.9
|
1.0
|
|
N
|
U:VAL66
|
4.4
|
21.2
|
1.0
|
|
N
|
U:ASN61
|
4.4
|
18.2
|
1.0
|
|
CA
|
U:ALA65
|
4.5
|
22.6
|
1.0
|
|
CA
|
U:VAL66
|
4.5
|
21.2
|
1.0
|
|
N
|
U:ILE60
|
4.5
|
19.3
|
0.4
|
|
N
|
U:ILE60
|
4.5
|
18.8
|
0.6
|
|
CB
|
U:ASP63
|
4.5
|
21.1
|
1.0
|
|
N
|
U:ASN67
|
4.6
|
20.2
|
1.0
|
|
CB
|
U:ASN61
|
4.7
|
18.6
|
1.0
|
|
N
|
U:THR62
|
4.7
|
21.8
|
1.0
|
|
CE
|
T:MET81
|
4.7
|
17.7
|
0.5
|
|
O
|
U:HOH230
|
4.8
|
29.6
|
1.0
|
|
CA
|
U:ASP63
|
4.9
|
22.3
|
1.0
|
|
CA
|
U:ASN61
|
4.9
|
19.2
|
1.0
|
|
C
|
U:ASN61
|
5.0
|
20.3
|
1.0
|
|
Reference:
S.M.Damo,
T.E.Kehl-Fie,
N.Sugitani,
M.E.Holt,
S.Rathi,
W.J.Murphy,
Y.Zhang,
C.Betz,
L.Hench,
G.Fritz,
E.P.Skaar,
W.J.Chazin.
Molecular Basis For Manganese Sequestration By Calprotectin and Roles in the Innate Immune Response to Invading Bacterial Pathogens. Proc.Natl.Acad.Sci.Usa V. 110 3841 2013.
ISSN: ISSN 0027-8424
PubMed: 23431180
DOI: 10.1073/PNAS.1220341110
Page generated: Sat Dec 12 04:47:51 2020
|
