Calcium in PDB 7pke: C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
Calcium Binding Sites:
The binding sites of Calcium atom in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
(pdb code 7pke). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand, PDB code: 7pke:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 7pke
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Calcium Binding Sites List in 7pke
Calcium binding site 1 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca301
b:63.9
occ:1.00
|
OE1
|
E:GLU138
|
2.2
|
62.9
|
1.0
|
|
OD1
|
E:ASP140
|
2.4
|
66.2
|
1.0
|
|
O4
|
E:PC303
|
2.6
|
62.7
|
1.0
|
|
O3
|
E:PC303
|
2.7
|
62.7
|
1.0
|
|
OD2
|
E:ASP140
|
2.8
|
66.2
|
1.0
|
|
HE22
|
E:GLN150
|
2.8
|
62.0
|
1.0
|
|
OE1
|
E:GLN150
|
2.9
|
62.0
|
1.0
|
|
CG
|
E:ASP140
|
2.9
|
66.2
|
1.0
|
|
P1
|
E:PC303
|
3.2
|
62.7
|
1.0
|
|
CD
|
E:GLU138
|
3.2
|
62.9
|
1.0
|
|
NE2
|
E:GLN150
|
3.3
|
62.0
|
1.0
|
|
CD
|
E:GLN150
|
3.3
|
62.0
|
1.0
|
|
OE2
|
E:GLU147
|
3.6
|
65.7
|
1.0
|
|
HB2
|
E:GLU147
|
3.7
|
65.7
|
1.0
|
|
OE2
|
E:GLU138
|
3.8
|
62.9
|
1.0
|
|
HE21
|
E:GLN150
|
3.9
|
62.0
|
1.0
|
|
HB3
|
E:GLU138
|
3.9
|
62.9
|
1.0
|
|
HB3
|
E:GLU147
|
4.0
|
65.7
|
1.0
|
|
O2
|
E:PC303
|
4.2
|
62.7
|
1.0
|
|
CG
|
E:GLU138
|
4.3
|
62.9
|
1.0
|
|
CB
|
E:GLU147
|
4.3
|
65.7
|
1.0
|
|
HG3
|
E:GLU138
|
4.4
|
62.9
|
1.0
|
|
CB
|
E:ASP140
|
4.4
|
66.2
|
1.0
|
|
O1
|
E:PC303
|
4.4
|
62.7
|
1.0
|
|
CG
|
E:GLN150
|
4.5
|
62.0
|
1.0
|
|
HG3
|
E:GLN150
|
4.5
|
62.0
|
1.0
|
|
H12
|
E:PC303
|
4.5
|
62.7
|
1.0
|
|
CA
|
E:CA302
|
4.5
|
74.6
|
1.0
|
|
CD
|
E:GLU147
|
4.6
|
65.7
|
1.0
|
|
CB
|
E:GLU138
|
4.6
|
62.9
|
1.0
|
|
HB2
|
E:GLN150
|
4.7
|
62.0
|
1.0
|
|
HB2
|
E:ASP140
|
4.7
|
66.2
|
1.0
|
|
HB3
|
E:ASP140
|
4.8
|
66.2
|
1.0
|
|
O
|
E:GLU138
|
4.8
|
62.9
|
1.0
|
|
H
|
E:GLU147
|
4.9
|
65.7
|
1.0
|
|
C1
|
E:PC303
|
4.9
|
62.7
|
1.0
|
|
Calcium binding site 2 out
of 10 in 7pke
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Calcium Binding Sites List in 7pke
Calcium binding site 2 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca302
b:74.6
occ:1.00
|
O3
|
E:PC303
|
2.1
|
62.7
|
1.0
|
|
OE2
|
E:GLU138
|
2.2
|
62.9
|
1.0
|
|
OD1
|
E:ASN61
|
2.3
|
63.2
|
1.0
|
|
OD2
|
E:ASP60
|
2.3
|
66.8
|
1.0
|
|
ND2
|
E:ASN61
|
2.5
|
63.2
|
1.0
|
|
CG
|
E:ASN61
|
2.7
|
63.2
|
1.0
|
|
P1
|
E:PC303
|
2.9
|
62.7
|
1.0
|
|
O2
|
E:PC303
|
3.0
|
62.7
|
1.0
|
|
HD21
|
E:ASN61
|
3.3
|
63.2
|
1.0
|
|
CD
|
E:GLU138
|
3.3
|
62.9
|
1.0
|
|
CG
|
E:ASP60
|
3.4
|
66.8
|
1.0
|
|
O1
|
E:PC303
|
3.6
|
62.7
|
1.0
|
|
OD2
|
E:ASP140
|
3.6
|
66.2
|
1.0
|
|
HA
|
E:ASP140
|
3.9
|
66.2
|
1.0
|
|
OE1
|
E:GLU138
|
3.9
|
62.9
|
1.0
|
|
O
|
E:GLN139
|
4.0
|
63.3
|
1.0
|
|
OD1
|
E:ASP60
|
4.0
|
66.8
|
1.0
|
|
CB
|
E:ASN61
|
4.2
|
63.2
|
1.0
|
|
HD23
|
E:LEU64
|
4.2
|
57.4
|
1.0
|
|
CG
|
E:ASP140
|
4.2
|
66.2
|
1.0
|
|
CG
|
E:GLU138
|
4.4
|
62.9
|
1.0
|
|
O4
|
E:PC303
|
4.4
|
62.7
|
1.0
|
|
HG2
|
E:GLU138
|
4.4
|
62.9
|
1.0
|
|
HG3
|
E:GLU138
|
4.4
|
62.9
|
1.0
|
|
C1
|
E:PC303
|
4.4
|
62.7
|
1.0
|
|
HB2
|
E:ASP60
|
4.5
|
66.8
|
1.0
|
|
HB2
|
E:ASN61
|
4.5
|
63.2
|
1.0
|
|
CA
|
E:CA301
|
4.5
|
63.9
|
1.0
|
|
O
|
E:ASP60
|
4.6
|
66.8
|
1.0
|
|
CB
|
E:ASP60
|
4.6
|
66.8
|
1.0
|
|
OD1
|
E:ASP140
|
4.6
|
66.2
|
1.0
|
|
HB3
|
E:ASN61
|
4.6
|
63.2
|
1.0
|
|
C
|
E:ASP60
|
4.7
|
66.8
|
1.0
|
|
H22
|
E:PC303
|
4.7
|
62.7
|
1.0
|
|
CA
|
E:ASP140
|
4.7
|
66.2
|
1.0
|
|
H11
|
E:PC303
|
4.7
|
62.7
|
1.0
|
|
N
|
E:ASN61
|
4.8
|
63.2
|
1.0
|
|
C
|
E:GLN139
|
4.8
|
63.3
|
1.0
|
|
HA
|
E:ASN61
|
4.8
|
63.2
|
1.0
|
|
CA
|
E:ASN61
|
4.9
|
63.2
|
1.0
|
|
CB
|
E:ASP140
|
4.9
|
66.2
|
1.0
|
|
HB3
|
E:ASP140
|
5.0
|
66.2
|
1.0
|
|
Calcium binding site 3 out
of 10 in 7pke
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Calcium Binding Sites List in 7pke
Calcium binding site 3 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca301
b:60.0
occ:1.00
|
OD1
|
D:ASP140
|
2.3
|
66.6
|
1.0
|
|
OD2
|
D:ASP140
|
2.5
|
66.6
|
1.0
|
|
OE1
|
D:GLN150
|
2.6
|
62.8
|
1.0
|
|
HE22
|
D:GLN150
|
2.7
|
62.8
|
1.0
|
|
O3
|
D:PC303
|
2.7
|
63.3
|
1.0
|
|
CG
|
D:ASP140
|
2.8
|
66.6
|
1.0
|
|
CD
|
D:GLN150
|
3.1
|
62.8
|
1.0
|
|
NE2
|
D:GLN150
|
3.1
|
62.8
|
1.0
|
|
O4
|
D:PC303
|
3.3
|
63.3
|
1.0
|
|
H12
|
D:PC303
|
3.6
|
63.3
|
1.0
|
|
OE2
|
D:GLU138
|
3.6
|
63.3
|
1.0
|
|
P1
|
D:PC303
|
3.6
|
63.3
|
1.0
|
|
OE2
|
D:GLU147
|
3.7
|
66.1
|
1.0
|
|
HB3
|
D:GLU138
|
3.8
|
63.3
|
1.0
|
|
HE21
|
D:GLN150
|
3.8
|
62.8
|
1.0
|
|
HB2
|
D:GLU147
|
3.8
|
66.1
|
1.0
|
|
CD
|
D:GLU138
|
3.8
|
63.3
|
1.0
|
|
HB3
|
D:GLU147
|
3.9
|
66.1
|
1.0
|
|
CA
|
D:CA302
|
4.1
|
67.9
|
1.0
|
|
OE1
|
D:GLU138
|
4.1
|
63.3
|
1.0
|
|
CB
|
D:ASP140
|
4.3
|
66.6
|
1.0
|
|
CG
|
D:GLN150
|
4.3
|
62.8
|
1.0
|
|
CB
|
D:GLU147
|
4.3
|
66.1
|
1.0
|
|
HG2
|
D:GLU138
|
4.4
|
63.3
|
1.0
|
|
HG3
|
D:GLN150
|
4.4
|
62.8
|
1.0
|
|
C1
|
D:PC303
|
4.4
|
63.3
|
1.0
|
|
HB2
|
D:GLN150
|
4.5
|
62.8
|
1.0
|
|
H11
|
D:PC303
|
4.5
|
63.3
|
1.0
|
|
CG
|
D:GLU138
|
4.5
|
63.3
|
1.0
|
|
CB
|
D:GLU138
|
4.6
|
63.3
|
1.0
|
|
HB2
|
D:ASP140
|
4.6
|
66.6
|
1.0
|
|
O1
|
D:PC303
|
4.6
|
63.3
|
1.0
|
|
HB3
|
D:ASP140
|
4.6
|
66.6
|
1.0
|
|
O2
|
D:PC303
|
4.7
|
63.3
|
1.0
|
|
CD
|
D:GLU147
|
4.7
|
66.1
|
1.0
|
|
H
|
D:GLU147
|
4.8
|
66.1
|
1.0
|
|
CB
|
D:GLN150
|
4.9
|
62.8
|
1.0
|
|
O
|
D:GLU138
|
4.9
|
63.3
|
1.0
|
|
HB3
|
D:GLN150
|
5.0
|
62.8
|
1.0
|
|
Calcium binding site 4 out
of 10 in 7pke
Go back to
Calcium Binding Sites List in 7pke
Calcium binding site 4 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca302
b:67.9
occ:1.00
|
O4
|
D:PC303
|
2.2
|
63.3
|
1.0
|
|
OE2
|
D:GLU138
|
2.3
|
63.3
|
1.0
|
|
OD2
|
D:ASP60
|
2.4
|
66.7
|
1.0
|
|
OD2
|
D:ASP140
|
2.5
|
66.6
|
1.0
|
|
O
|
D:GLN139
|
2.5
|
64.3
|
1.0
|
|
OD1
|
D:ASN61
|
2.5
|
63.1
|
1.0
|
|
HA
|
D:ASP140
|
2.5
|
66.6
|
1.0
|
|
HG2
|
D:GLU138
|
3.0
|
63.3
|
1.0
|
|
CG
|
D:ASP140
|
3.2
|
66.6
|
1.0
|
|
CD
|
D:GLU138
|
3.3
|
63.3
|
1.0
|
|
CA
|
D:ASP140
|
3.3
|
66.6
|
1.0
|
|
C
|
D:GLN139
|
3.4
|
64.3
|
1.0
|
|
CG
|
D:ASN61
|
3.4
|
63.1
|
1.0
|
|
CG
|
D:ASP60
|
3.4
|
66.7
|
1.0
|
|
ND2
|
D:ASN61
|
3.5
|
63.1
|
1.0
|
|
HB2
|
D:ASP60
|
3.6
|
66.7
|
1.0
|
|
CG
|
D:GLU138
|
3.6
|
63.3
|
1.0
|
|
N
|
D:ASP140
|
3.7
|
66.6
|
1.0
|
|
CB
|
D:ASP140
|
3.7
|
66.6
|
1.0
|
|
P1
|
D:PC303
|
3.8
|
63.3
|
1.0
|
|
OD1
|
D:ASP140
|
3.9
|
66.6
|
1.0
|
|
HB3
|
D:ASP140
|
4.0
|
66.6
|
1.0
|
|
CA
|
D:CA301
|
4.1
|
60.0
|
1.0
|
|
CB
|
D:ASP60
|
4.1
|
66.7
|
1.0
|
|
HG3
|
D:GLU138
|
4.1
|
63.3
|
1.0
|
|
OD1
|
D:ASP60
|
4.3
|
66.7
|
1.0
|
|
H12
|
D:PC303
|
4.3
|
63.3
|
1.0
|
|
HD21
|
D:ASN61
|
4.4
|
63.1
|
1.0
|
|
OE1
|
D:GLU138
|
4.4
|
63.3
|
1.0
|
|
H
|
D:ASP140
|
4.5
|
66.6
|
1.0
|
|
O2
|
D:PC303
|
4.5
|
63.3
|
1.0
|
|
C
|
D:ASP140
|
4.6
|
66.6
|
1.0
|
|
O
|
D:ASP60
|
4.6
|
66.7
|
1.0
|
|
HB2
|
D:ASP140
|
4.6
|
66.6
|
1.0
|
|
O3
|
D:PC303
|
4.6
|
63.3
|
1.0
|
|
C
|
D:ASP60
|
4.6
|
66.7
|
1.0
|
|
O1
|
D:PC303
|
4.7
|
63.3
|
1.0
|
|
CA
|
D:GLN139
|
4.7
|
64.3
|
1.0
|
|
HB3
|
D:GLU138
|
4.7
|
63.3
|
1.0
|
|
HB3
|
D:ASP60
|
4.8
|
66.7
|
1.0
|
|
HD23
|
D:LEU64
|
4.8
|
57.9
|
1.0
|
|
N
|
D:GLN139
|
4.8
|
64.3
|
1.0
|
|
CB
|
D:ASN61
|
4.8
|
63.1
|
1.0
|
|
CB
|
D:GLU138
|
4.8
|
63.3
|
1.0
|
|
N
|
D:ASN61
|
4.9
|
63.1
|
1.0
|
|
H
|
D:GLN139
|
5.0
|
64.3
|
1.0
|
|
C1
|
D:PC303
|
5.0
|
63.3
|
1.0
|
|
O
|
D:ASP140
|
5.0
|
66.6
|
1.0
|
|
HG2
|
D:GLN139
|
5.0
|
64.3
|
1.0
|
|
Calcium binding site 5 out
of 10 in 7pke
Go back to
Calcium Binding Sites List in 7pke
Calcium binding site 5 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca301
b:69.8
occ:1.00
|
OE1
|
C:GLU147
|
2.2
|
68.3
|
1.0
|
|
OD1
|
C:ASP140
|
2.3
|
67.6
|
1.0
|
|
OE1
|
C:GLN150
|
2.3
|
62.7
|
1.0
|
|
OD2
|
C:ASP140
|
2.4
|
67.6
|
1.0
|
|
CG
|
C:ASP140
|
2.6
|
67.6
|
1.0
|
|
O4
|
C:PC303
|
2.7
|
63.5
|
1.0
|
|
OE1
|
C:GLU138
|
2.7
|
64.0
|
1.0
|
|
O3
|
C:PC303
|
3.1
|
63.5
|
1.0
|
|
HG3
|
C:GLU147
|
3.2
|
68.3
|
1.0
|
|
CD
|
C:GLU147
|
3.3
|
68.3
|
1.0
|
|
HB3
|
C:GLU138
|
3.4
|
64.0
|
1.0
|
|
CD
|
C:GLN150
|
3.4
|
62.7
|
1.0
|
|
P1
|
C:PC303
|
3.5
|
63.5
|
1.0
|
|
HE22
|
C:GLN150
|
3.6
|
62.7
|
1.0
|
|
CA
|
C:CA302
|
3.7
|
68.8
|
1.0
|
|
CG
|
C:GLU147
|
3.7
|
68.3
|
1.0
|
|
CD
|
C:GLU138
|
3.8
|
64.0
|
1.0
|
|
NE2
|
C:GLN150
|
3.9
|
62.7
|
1.0
|
|
CB
|
C:ASP140
|
4.1
|
67.6
|
1.0
|
|
CB
|
C:GLU138
|
4.2
|
64.0
|
1.0
|
|
OE2
|
C:GLU147
|
4.3
|
68.3
|
1.0
|
|
O2
|
C:PC303
|
4.3
|
63.5
|
1.0
|
|
HG3
|
C:GLU138
|
4.4
|
64.0
|
1.0
|
|
HG2
|
C:GLU147
|
4.4
|
68.3
|
1.0
|
|
CG
|
C:GLU138
|
4.4
|
64.0
|
1.0
|
|
HB3
|
C:ASP140
|
4.5
|
67.6
|
1.0
|
|
HB2
|
C:GLU147
|
4.5
|
68.3
|
1.0
|
|
CG
|
C:GLN150
|
4.6
|
62.7
|
1.0
|
|
HB2
|
C:ASP140
|
4.6
|
67.6
|
1.0
|
|
HG3
|
C:GLN150
|
4.6
|
62.7
|
1.0
|
|
O
|
C:GLU138
|
4.6
|
64.0
|
1.0
|
|
HB2
|
C:GLN150
|
4.7
|
62.7
|
1.0
|
|
O1
|
C:PC303
|
4.7
|
63.5
|
1.0
|
|
HE21
|
C:GLN150
|
4.7
|
62.7
|
1.0
|
|
HB2
|
C:GLU138
|
4.7
|
64.0
|
1.0
|
|
OE2
|
C:GLU138
|
4.7
|
64.0
|
1.0
|
|
CB
|
C:GLU147
|
4.8
|
68.3
|
1.0
|
|
H
|
C:GLU147
|
4.8
|
68.3
|
1.0
|
|
HA
|
C:ASP140
|
4.8
|
67.6
|
1.0
|
|
C
|
C:GLU138
|
4.8
|
64.0
|
1.0
|
|
CA
|
C:ASP140
|
5.0
|
67.6
|
1.0
|
|
Calcium binding site 6 out
of 10 in 7pke
Go back to
Calcium Binding Sites List in 7pke
Calcium binding site 6 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca302
b:68.8
occ:1.00
|
OE1
|
C:GLU138
|
2.3
|
64.0
|
1.0
|
|
O4
|
C:PC303
|
2.3
|
63.5
|
1.0
|
|
OD1
|
C:ASN61
|
2.3
|
62.7
|
1.0
|
|
OD1
|
C:ASP140
|
2.4
|
67.6
|
1.0
|
|
OE2
|
C:GLU138
|
2.5
|
64.0
|
1.0
|
|
OD2
|
C:ASP60
|
2.5
|
67.3
|
1.0
|
|
CD
|
C:GLU138
|
2.7
|
64.0
|
1.0
|
|
O2
|
C:PC303
|
3.0
|
63.5
|
1.0
|
|
CG
|
C:ASN61
|
3.1
|
62.7
|
1.0
|
|
HA
|
C:ASP140
|
3.2
|
67.6
|
1.0
|
|
O
|
C:GLN139
|
3.2
|
64.5
|
1.0
|
|
ND2
|
C:ASN61
|
3.2
|
62.7
|
1.0
|
|
P1
|
C:PC303
|
3.3
|
63.5
|
1.0
|
|
CG
|
C:ASP60
|
3.5
|
67.3
|
1.0
|
|
CG
|
C:ASP140
|
3.6
|
67.6
|
1.0
|
|
CA
|
C:CA301
|
3.7
|
69.8
|
1.0
|
|
C
|
C:GLN139
|
4.0
|
64.5
|
1.0
|
|
CA
|
C:ASP140
|
4.0
|
67.6
|
1.0
|
|
HD21
|
C:ASN61
|
4.1
|
62.7
|
1.0
|
|
HB2
|
C:ASP60
|
4.1
|
67.3
|
1.0
|
|
CG
|
C:GLU138
|
4.1
|
64.0
|
1.0
|
|
HD23
|
C:LEU64
|
4.2
|
58.1
|
1.0
|
|
O1
|
C:PC303
|
4.3
|
63.5
|
1.0
|
|
OD1
|
C:ASP60
|
4.3
|
67.3
|
1.0
|
|
CB
|
C:ASP140
|
4.3
|
67.6
|
1.0
|
|
N
|
C:ASP140
|
4.4
|
67.6
|
1.0
|
|
HG3
|
C:GLU138
|
4.4
|
64.0
|
1.0
|
|
O3
|
C:PC303
|
4.4
|
63.5
|
1.0
|
|
C1
|
C:PC303
|
4.4
|
63.5
|
1.0
|
|
CB
|
C:ASP60
|
4.4
|
67.3
|
1.0
|
|
HB3
|
C:ASP140
|
4.5
|
67.6
|
1.0
|
|
O
|
C:ASP60
|
4.5
|
67.3
|
1.0
|
|
OD2
|
C:ASP140
|
4.6
|
67.6
|
1.0
|
|
CB
|
C:ASN61
|
4.6
|
62.7
|
1.0
|
|
H
|
C:GLN139
|
4.6
|
64.5
|
1.0
|
|
HB3
|
C:GLU138
|
4.6
|
64.0
|
1.0
|
|
HG2
|
C:GLU138
|
4.6
|
64.0
|
1.0
|
|
H11
|
C:PC303
|
4.7
|
63.5
|
1.0
|
|
C
|
C:ASP60
|
4.7
|
67.3
|
1.0
|
|
N
|
C:GLN139
|
4.8
|
64.5
|
1.0
|
|
H12
|
C:PC303
|
4.9
|
63.5
|
1.0
|
|
HB3
|
C:ASN61
|
4.9
|
62.7
|
1.0
|
|
N
|
C:ASN61
|
5.0
|
62.7
|
1.0
|
|
CB
|
C:GLU138
|
5.0
|
64.0
|
1.0
|
|
HA
|
C:ASN61
|
5.0
|
62.7
|
1.0
|
|
Calcium binding site 7 out
of 10 in 7pke
Go back to
Calcium Binding Sites List in 7pke
Calcium binding site 7 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca301
b:63.0
occ:1.00
|
OE1
|
B:GLN150
|
2.2
|
61.8
|
1.0
|
|
OD2
|
B:ASP140
|
2.3
|
65.2
|
1.0
|
|
O1
|
B:PC303
|
2.3
|
62.8
|
1.0
|
|
OD1
|
B:ASP140
|
2.6
|
65.2
|
1.0
|
|
CG
|
B:ASP140
|
2.7
|
65.2
|
1.0
|
|
HG3
|
B:GLU147
|
2.9
|
67.6
|
1.0
|
|
OE1
|
B:GLU138
|
3.0
|
61.6
|
1.0
|
|
O4
|
B:PC303
|
3.2
|
62.8
|
1.0
|
|
CD
|
B:GLN150
|
3.2
|
61.8
|
1.0
|
|
OE1
|
B:GLU147
|
3.3
|
67.6
|
1.0
|
|
P1
|
B:PC303
|
3.4
|
62.8
|
1.0
|
|
HE22
|
B:GLN150
|
3.4
|
61.8
|
1.0
|
|
HB2
|
B:GLU147
|
3.4
|
67.6
|
1.0
|
|
CG
|
B:GLU147
|
3.6
|
67.6
|
1.0
|
|
CD
|
B:GLU147
|
3.6
|
67.6
|
1.0
|
|
NE2
|
B:GLN150
|
3.7
|
61.8
|
1.0
|
|
HB3
|
B:GLU138
|
3.7
|
61.6
|
1.0
|
|
CA
|
B:CA302
|
4.0
|
68.4
|
1.0
|
|
CD
|
B:GLU138
|
4.0
|
61.6
|
1.0
|
|
CB
|
B:GLU147
|
4.0
|
67.6
|
1.0
|
|
HG3
|
B:GLU138
|
4.2
|
61.6
|
1.0
|
|
CB
|
B:ASP140
|
4.2
|
65.2
|
1.0
|
|
O3
|
B:PC303
|
4.3
|
62.8
|
1.0
|
|
H
|
B:GLU147
|
4.4
|
67.6
|
1.0
|
|
CG
|
B:GLU138
|
4.4
|
61.6
|
1.0
|
|
HG2
|
B:GLU147
|
4.5
|
67.6
|
1.0
|
|
O2
|
B:PC303
|
4.5
|
62.8
|
1.0
|
|
CB
|
B:GLU138
|
4.5
|
61.6
|
1.0
|
|
O
|
B:GLU138
|
4.5
|
61.6
|
1.0
|
|
HE21
|
B:GLN150
|
4.5
|
61.8
|
1.0
|
|
HB2
|
B:ASP140
|
4.5
|
65.2
|
1.0
|
|
CG
|
B:GLN150
|
4.5
|
61.8
|
1.0
|
|
HB2
|
B:GLN150
|
4.6
|
61.8
|
1.0
|
|
OE2
|
B:GLU147
|
4.6
|
67.6
|
1.0
|
|
HB3
|
B:GLU147
|
4.6
|
67.6
|
1.0
|
|
HG3
|
B:GLN150
|
4.7
|
61.8
|
1.0
|
|
HB3
|
B:ASP140
|
4.7
|
65.2
|
1.0
|
|
N
|
B:GLU147
|
4.9
|
67.6
|
1.0
|
|
C
|
B:GLU138
|
4.9
|
61.6
|
1.0
|
|
O
|
B:ASN145
|
4.9
|
68.1
|
1.0
|
|
HA
|
B:ASP140
|
5.0
|
65.2
|
1.0
|
|
OE2
|
B:GLU138
|
5.0
|
61.6
|
1.0
|
|
N
|
B:ASP140
|
5.0
|
65.2
|
1.0
|
|
Calcium binding site 8 out
of 10 in 7pke
Go back to
Calcium Binding Sites List in 7pke
Calcium binding site 8 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca302
b:68.4
occ:1.00
|
O3
|
B:PC303
|
2.3
|
62.8
|
1.0
|
|
OD1
|
B:ASP140
|
2.3
|
65.2
|
1.0
|
|
OE1
|
B:GLU138
|
2.4
|
61.6
|
1.0
|
|
OE2
|
B:GLU138
|
2.4
|
61.6
|
1.0
|
|
OD1
|
B:ASN61
|
2.5
|
60.7
|
1.0
|
|
OD2
|
B:ASP60
|
2.6
|
65.6
|
1.0
|
|
CD
|
B:GLU138
|
2.6
|
61.6
|
1.0
|
|
O
|
B:GLN139
|
2.7
|
62.9
|
1.0
|
|
P1
|
B:PC303
|
3.0
|
62.8
|
1.0
|
|
HA
|
B:ASP140
|
3.1
|
65.2
|
1.0
|
|
O4
|
B:PC303
|
3.2
|
62.8
|
1.0
|
|
CG
|
B:ASN61
|
3.3
|
60.7
|
1.0
|
|
O1
|
B:PC303
|
3.3
|
62.8
|
1.0
|
|
ND2
|
B:ASN61
|
3.4
|
60.7
|
1.0
|
|
CG
|
B:ASP140
|
3.5
|
65.2
|
1.0
|
|
C
|
B:GLN139
|
3.6
|
62.9
|
1.0
|
|
CG
|
B:ASP60
|
3.6
|
65.6
|
1.0
|
|
CA
|
B:ASP140
|
3.9
|
65.2
|
1.0
|
|
HB2
|
B:ASP60
|
4.0
|
65.6
|
1.0
|
|
CG
|
B:GLU138
|
4.0
|
61.6
|
1.0
|
|
CA
|
B:CA301
|
4.0
|
63.0
|
1.0
|
|
HG3
|
B:GLU138
|
4.1
|
61.6
|
1.0
|
|
N
|
B:ASP140
|
4.1
|
65.2
|
1.0
|
|
HD21
|
B:ASN61
|
4.2
|
60.7
|
1.0
|
|
CB
|
B:ASP140
|
4.3
|
65.2
|
1.0
|
|
HD22
|
B:LEU64
|
4.4
|
56.5
|
1.0
|
|
CB
|
B:ASP60
|
4.4
|
65.6
|
1.0
|
|
OD1
|
B:ASP60
|
4.4
|
65.6
|
1.0
|
|
HG2
|
B:GLU138
|
4.4
|
61.6
|
1.0
|
|
OD2
|
B:ASP140
|
4.5
|
65.2
|
1.0
|
|
H
|
B:GLN139
|
4.5
|
62.9
|
1.0
|
|
H22
|
B:PC303
|
4.5
|
62.8
|
1.0
|
|
O2
|
B:PC303
|
4.5
|
62.8
|
1.0
|
|
HB3
|
B:ASP140
|
4.6
|
65.2
|
1.0
|
|
N
|
B:GLN139
|
4.6
|
62.9
|
1.0
|
|
H11
|
B:PC303
|
4.7
|
62.8
|
1.0
|
|
CB
|
B:ASN61
|
4.7
|
60.7
|
1.0
|
|
CA
|
B:GLN139
|
4.7
|
62.9
|
1.0
|
|
HB3
|
B:GLU138
|
4.9
|
61.6
|
1.0
|
|
H
|
B:ASP140
|
4.9
|
65.2
|
1.0
|
|
N
|
B:ASN61
|
4.9
|
60.7
|
1.0
|
|
C
|
B:ASP60
|
5.0
|
65.6
|
1.0
|
|
Calcium binding site 9 out
of 10 in 7pke
Go back to
Calcium Binding Sites List in 7pke
Calcium binding site 9 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca301
b:70.4
occ:1.00
|
OE1
|
A:GLU147
|
2.2
|
67.2
|
1.0
|
|
OE1
|
A:GLN150
|
2.3
|
62.4
|
1.0
|
|
OD1
|
A:ASP140
|
2.3
|
65.5
|
1.0
|
|
OD2
|
A:ASP140
|
2.3
|
65.5
|
1.0
|
|
O1
|
A:PC303
|
2.3
|
63.4
|
1.0
|
|
OE1
|
A:GLU138
|
2.4
|
62.4
|
1.0
|
|
CG
|
A:ASP140
|
2.6
|
65.5
|
1.0
|
|
O4
|
A:PC303
|
2.7
|
63.4
|
1.0
|
|
HG3
|
A:GLU147
|
2.8
|
67.2
|
1.0
|
|
P1
|
A:PC303
|
3.0
|
63.4
|
1.0
|
|
CD
|
A:GLU147
|
3.2
|
67.2
|
1.0
|
|
HB3
|
A:GLU138
|
3.2
|
62.4
|
1.0
|
|
HE21
|
A:GLN150
|
3.2
|
62.4
|
1.0
|
|
CD
|
A:GLN150
|
3.3
|
62.4
|
1.0
|
|
CD
|
A:GLU138
|
3.4
|
62.4
|
1.0
|
|
CG
|
A:GLU147
|
3.4
|
67.2
|
1.0
|
|
O3
|
A:PC303
|
3.5
|
63.4
|
1.0
|
|
HG3
|
A:GLU138
|
3.6
|
62.4
|
1.0
|
|
NE2
|
A:GLN150
|
3.6
|
62.4
|
1.0
|
|
CA
|
A:CA302
|
3.6
|
73.1
|
1.0
|
|
CG
|
A:GLU138
|
3.9
|
62.4
|
1.0
|
|
HG2
|
A:GLU147
|
4.0
|
67.2
|
1.0
|
|
CB
|
A:GLU138
|
4.0
|
62.4
|
1.0
|
|
CB
|
A:ASP140
|
4.1
|
65.5
|
1.0
|
|
HB2
|
A:GLU147
|
4.3
|
67.2
|
1.0
|
|
OE2
|
A:GLU147
|
4.3
|
67.2
|
1.0
|
|
O
|
A:GLU138
|
4.3
|
62.4
|
1.0
|
|
OE2
|
A:GLU138
|
4.3
|
62.4
|
1.0
|
|
O2
|
A:PC303
|
4.4
|
63.4
|
1.0
|
|
HB2
|
A:ASP140
|
4.4
|
65.5
|
1.0
|
|
HE22
|
A:GLN150
|
4.5
|
62.4
|
1.0
|
|
CB
|
A:GLU147
|
4.5
|
67.2
|
1.0
|
|
HA
|
A:ASP140
|
4.5
|
65.5
|
1.0
|
|
HB2
|
A:GLU138
|
4.6
|
62.4
|
1.0
|
|
CG
|
A:GLN150
|
4.6
|
62.4
|
1.0
|
|
HB3
|
A:ASP140
|
4.6
|
65.5
|
1.0
|
|
HB2
|
A:GLN150
|
4.7
|
62.4
|
1.0
|
|
O
|
A:GLN139
|
4.7
|
62.0
|
1.0
|
|
C
|
A:GLU138
|
4.7
|
62.4
|
1.0
|
|
CA
|
A:ASP140
|
4.7
|
65.5
|
1.0
|
|
H
|
A:GLU147
|
4.8
|
67.2
|
1.0
|
|
N
|
A:ASP140
|
4.8
|
65.5
|
1.0
|
|
HG2
|
A:GLU138
|
4.8
|
62.4
|
1.0
|
|
HG3
|
A:GLN150
|
4.8
|
62.4
|
1.0
|
|
C
|
A:GLN139
|
4.9
|
62.0
|
1.0
|
|
H22
|
A:PC303
|
4.9
|
63.4
|
1.0
|
|
Calcium binding site 10 out
of 10 in 7pke
Go back to
Calcium Binding Sites List in 7pke
Calcium binding site 10 out
of 10 in the C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of C-Reactive Protein Pentamer at pH 7.5 with Phosphocholine Ligand within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca302
b:73.1
occ:1.00
|
O3
|
A:PC303
|
2.2
|
63.4
|
1.0
|
|
O
|
A:GLN139
|
2.2
|
62.0
|
1.0
|
|
OE1
|
A:GLU138
|
2.3
|
62.4
|
1.0
|
|
OD2
|
A:ASP140
|
2.4
|
65.5
|
1.0
|
|
OE2
|
A:GLU138
|
2.4
|
62.4
|
1.0
|
|
OD1
|
A:ASN61
|
2.5
|
61.3
|
1.0
|
|
OD2
|
A:ASP60
|
2.5
|
65.4
|
1.0
|
|
HA
|
A:ASP140
|
2.6
|
65.5
|
1.0
|
|
CD
|
A:GLU138
|
2.7
|
62.4
|
1.0
|
|
C
|
A:GLN139
|
3.2
|
62.0
|
1.0
|
|
CG
|
A:ASN61
|
3.3
|
61.3
|
1.0
|
|
P1
|
A:PC303
|
3.4
|
63.4
|
1.0
|
|
CG
|
A:ASP60
|
3.4
|
65.4
|
1.0
|
|
CG
|
A:ASP140
|
3.4
|
65.5
|
1.0
|
|
CA
|
A:ASP140
|
3.4
|
65.5
|
1.0
|
|
ND2
|
A:ASN61
|
3.5
|
61.3
|
1.0
|
|
CA
|
A:CA301
|
3.6
|
70.4
|
1.0
|
|
HB2
|
A:ASP60
|
3.6
|
65.4
|
1.0
|
|
N
|
A:ASP140
|
3.7
|
65.5
|
1.0
|
|
O1
|
A:PC303
|
3.9
|
63.4
|
1.0
|
|
O4
|
A:PC303
|
3.9
|
63.4
|
1.0
|
|
CB
|
A:ASP140
|
4.0
|
65.5
|
1.0
|
|
CB
|
A:ASP60
|
4.1
|
65.4
|
1.0
|
|
CG
|
A:GLU138
|
4.1
|
62.4
|
1.0
|
|
OD1
|
A:ASP60
|
4.2
|
65.4
|
1.0
|
|
HD21
|
A:ASN61
|
4.3
|
61.3
|
1.0
|
|
HG3
|
A:GLU138
|
4.4
|
62.4
|
1.0
|
|
OD1
|
A:ASP140
|
4.4
|
65.5
|
1.0
|
|
HB3
|
A:ASP140
|
4.4
|
65.5
|
1.0
|
|
H
|
A:ASP140
|
4.5
|
65.5
|
1.0
|
|
H11
|
A:PC303
|
4.5
|
63.4
|
1.0
|
|
CA
|
A:GLN139
|
4.5
|
62.0
|
1.0
|
|
N
|
A:GLN139
|
4.5
|
62.0
|
1.0
|
|
HG2
|
A:GLU138
|
4.6
|
62.4
|
1.0
|
|
C
|
A:ASP140
|
4.6
|
65.5
|
1.0
|
|
HD23
|
A:LEU64
|
4.7
|
56.9
|
1.0
|
|
O2
|
A:PC303
|
4.7
|
63.4
|
1.0
|
|
C
|
A:ASP60
|
4.7
|
65.4
|
1.0
|
|
H
|
A:GLN139
|
4.7
|
62.0
|
1.0
|
|
CB
|
A:ASN61
|
4.7
|
61.3
|
1.0
|
|
O
|
A:ASP60
|
4.8
|
65.4
|
1.0
|
|
HB3
|
A:ASP60
|
4.8
|
65.4
|
1.0
|
|
HB2
|
A:ASP140
|
4.8
|
65.5
|
1.0
|
|
HB3
|
A:GLU138
|
4.8
|
62.4
|
1.0
|
|
C
|
A:GLU138
|
4.8
|
62.4
|
1.0
|
|
N
|
A:ASN61
|
4.9
|
61.3
|
1.0
|
|
Reference:
D.P.Noone,
T.T.Velden,
T.H.Sharp.
Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such As Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein Front Immunol 2021.
ISSN: ESSN 1664-3224
DOI: 10.3389/FIMMU.2021.757633
Page generated: Fri Jul 19 03:00:49 2024
|
