Calcium in PDB 1niw: Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
Enzymatic activity of Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
All present enzymatic activity of Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin:
1.14.13.39;
Protein crystallography data
The structure of Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin, PDB code: 1niw
was solved by
M.Aoyagi,
A.S.Arvai,
J.A.Tainer,
E.D.Getzoff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
19.78 /
2.05
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
68.521,
73.952,
71.142,
90.00,
111.40,
90.00
|
|
R / Rfree (%)
|
22.3 /
24.9
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Calcium atom in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
(pdb code 1niw). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the
Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin, PDB code: 1niw:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 1 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1001
b:37.0
occ:1.00
|
OD1
|
A:ASP24
|
2.1
|
44.0
|
1.0
|
|
O
|
A:THR26
|
2.2
|
30.9
|
1.0
|
|
OE2
|
A:GLU31
|
2.3
|
34.3
|
1.0
|
|
OE1
|
A:GLU31
|
2.3
|
29.1
|
1.0
|
|
O
|
A:HOH3002
|
2.5
|
28.6
|
1.0
|
|
CD
|
A:GLU31
|
2.6
|
30.1
|
1.0
|
|
OD1
|
A:ASP22
|
2.8
|
42.2
|
1.0
|
|
OD1
|
A:ASP20
|
2.9
|
37.9
|
1.0
|
|
OD2
|
A:ASP22
|
3.1
|
51.0
|
1.0
|
|
CG
|
A:ASP24
|
3.1
|
47.6
|
1.0
|
|
CG
|
A:ASP22
|
3.2
|
46.5
|
1.0
|
|
C
|
A:THR26
|
3.5
|
29.4
|
1.0
|
|
CG
|
A:ASP20
|
3.7
|
41.2
|
1.0
|
|
OD2
|
A:ASP24
|
3.8
|
48.4
|
1.0
|
|
CA
|
A:ASP20
|
4.0
|
38.2
|
1.0
|
|
CG
|
A:GLU31
|
4.1
|
30.6
|
1.0
|
|
N
|
A:THR26
|
4.1
|
33.8
|
1.0
|
|
CB
|
A:ASP24
|
4.2
|
47.3
|
1.0
|
|
CB
|
A:ASP20
|
4.3
|
37.5
|
1.0
|
|
N
|
A:ASP24
|
4.3
|
49.7
|
1.0
|
|
OG1
|
A:THR26
|
4.3
|
37.1
|
1.0
|
|
CA
|
A:THR26
|
4.3
|
33.3
|
1.0
|
|
N
|
A:ILE27
|
4.4
|
27.4
|
1.0
|
|
C
|
A:ASP20
|
4.5
|
38.9
|
1.0
|
|
OD2
|
A:ASP20
|
4.5
|
41.7
|
1.0
|
|
CA
|
A:ILE27
|
4.5
|
25.4
|
1.0
|
|
N
|
A:ASP22
|
4.6
|
49.1
|
1.0
|
|
O
|
A:HOH3005
|
4.6
|
31.0
|
1.0
|
|
CB
|
A:ASP22
|
4.6
|
49.2
|
1.0
|
|
CG2
|
A:THR28
|
4.7
|
25.2
|
1.0
|
|
CA
|
A:ASP24
|
4.7
|
46.3
|
1.0
|
|
N
|
A:LYS21
|
4.8
|
41.2
|
1.0
|
|
N
|
A:GLY25
|
4.8
|
40.1
|
1.0
|
|
N
|
A:THR28
|
4.8
|
24.7
|
1.0
|
|
N
|
A:GLY23
|
4.9
|
49.8
|
1.0
|
|
C
|
A:ASP24
|
5.0
|
43.3
|
1.0
|
|
CB
|
A:THR26
|
5.0
|
35.1
|
1.0
|
|
Calcium binding site 2 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 2 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1002
b:42.6
occ:1.00
|
OD1
|
A:ASP58
|
2.1
|
52.0
|
1.0
|
|
OD1
|
A:ASN60
|
2.2
|
46.0
|
1.0
|
|
O
|
A:THR62
|
2.4
|
34.8
|
1.0
|
|
OD1
|
A:ASP56
|
2.4
|
45.1
|
1.0
|
|
OE1
|
A:GLU67
|
2.4
|
41.1
|
1.0
|
|
OE2
|
A:GLU67
|
2.6
|
40.2
|
1.0
|
|
CD
|
A:GLU67
|
2.8
|
40.7
|
1.0
|
|
CG
|
A:ASP58
|
3.1
|
51.4
|
1.0
|
|
CG
|
A:ASN60
|
3.3
|
44.0
|
1.0
|
|
OD2
|
A:ASP58
|
3.4
|
53.1
|
1.0
|
|
C
|
A:THR62
|
3.5
|
33.8
|
1.0
|
|
CG
|
A:ASP56
|
3.6
|
44.5
|
1.0
|
|
ND2
|
A:ASN60
|
3.9
|
46.8
|
1.0
|
|
OG1
|
A:THR62
|
4.2
|
34.4
|
1.0
|
|
N
|
A:ASP64
|
4.3
|
34.4
|
1.0
|
|
N
|
A:ILE63
|
4.3
|
33.5
|
1.0
|
|
OD2
|
A:ASP64
|
4.3
|
43.0
|
1.0
|
|
CA
|
A:ILE63
|
4.3
|
34.5
|
1.0
|
|
CG
|
A:GLU67
|
4.3
|
38.5
|
1.0
|
|
N
|
A:THR62
|
4.3
|
33.1
|
1.0
|
|
CA
|
A:ASP56
|
4.4
|
45.7
|
1.0
|
|
N
|
A:ASN60
|
4.4
|
43.9
|
1.0
|
|
OD2
|
A:ASP56
|
4.4
|
44.7
|
1.0
|
|
CA
|
A:THR62
|
4.4
|
33.0
|
1.0
|
|
CB
|
A:ASP56
|
4.5
|
43.5
|
1.0
|
|
CB
|
A:ASP58
|
4.5
|
52.2
|
1.0
|
|
CB
|
A:ASN60
|
4.5
|
43.0
|
1.0
|
|
N
|
A:ASP58
|
4.6
|
51.0
|
1.0
|
|
CG
|
A:ASP64
|
4.7
|
38.3
|
1.0
|
|
C
|
A:ILE63
|
4.7
|
33.8
|
1.0
|
|
C
|
A:ASP56
|
4.8
|
48.7
|
1.0
|
|
N
|
A:GLY59
|
4.9
|
50.9
|
1.0
|
|
CA
|
A:ASP58
|
4.9
|
51.0
|
1.0
|
|
CA
|
A:ASN60
|
4.9
|
41.1
|
1.0
|
|
CB
|
A:ASP64
|
4.9
|
37.0
|
1.0
|
|
C
|
A:ASP58
|
4.9
|
50.7
|
1.0
|
|
CB
|
A:THR62
|
5.0
|
32.2
|
1.0
|
|
Calcium binding site 3 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 3 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1003
b:31.3
occ:1.00
|
OD1
|
A:ASP93
|
2.2
|
32.6
|
1.0
|
|
O
|
A:TYR99
|
2.2
|
29.9
|
1.0
|
|
OD1
|
A:ASN97
|
2.4
|
33.8
|
1.0
|
|
OE2
|
A:GLU104
|
2.4
|
37.0
|
1.0
|
|
OE1
|
A:GLU104
|
2.4
|
33.0
|
1.0
|
|
OD1
|
A:ASP95
|
2.5
|
35.4
|
1.0
|
|
CD
|
A:GLU104
|
2.7
|
33.6
|
1.0
|
|
CG
|
A:ASN97
|
3.3
|
34.1
|
1.0
|
|
C
|
A:TYR99
|
3.4
|
26.8
|
1.0
|
|
CG
|
A:ASP93
|
3.4
|
34.2
|
1.0
|
|
CG
|
A:ASP95
|
3.5
|
38.2
|
1.0
|
|
OD2
|
A:ASP95
|
3.9
|
37.4
|
1.0
|
|
N
|
A:TYR99
|
4.0
|
31.0
|
1.0
|
|
ND2
|
A:ASN97
|
4.0
|
34.0
|
1.0
|
|
N
|
A:ASN97
|
4.1
|
36.4
|
1.0
|
|
CA
|
A:TYR99
|
4.2
|
29.9
|
1.0
|
|
CG
|
A:GLU104
|
4.2
|
35.0
|
1.0
|
|
OD2
|
A:ASP93
|
4.2
|
33.1
|
1.0
|
|
CA
|
A:ASP93
|
4.2
|
35.1
|
1.0
|
|
CB
|
A:ASN97
|
4.3
|
35.5
|
1.0
|
|
CB
|
A:ASP93
|
4.3
|
33.5
|
1.0
|
|
N
|
A:ILE100
|
4.4
|
25.3
|
1.0
|
|
N
|
A:ASP95
|
4.4
|
39.1
|
1.0
|
|
C
|
A:ASP93
|
4.4
|
36.7
|
1.0
|
|
CA
|
A:ILE100
|
4.5
|
26.1
|
1.0
|
|
N
|
A:SER101
|
4.5
|
26.0
|
1.0
|
|
CB
|
A:TYR99
|
4.5
|
32.2
|
1.0
|
|
N
|
A:GLY96
|
4.6
|
37.6
|
1.0
|
|
CA
|
A:ASN97
|
4.6
|
35.1
|
1.0
|
|
O
|
A:HOH3008
|
4.6
|
30.9
|
1.0
|
|
CB
|
A:ASP95
|
4.7
|
38.8
|
1.0
|
|
N
|
A:LYS94
|
4.7
|
39.3
|
1.0
|
|
N
|
A:GLY98
|
4.8
|
33.0
|
1.0
|
|
O1
|
A:SO44001
|
4.8
|
64.7
|
1.0
|
|
O
|
A:ASP93
|
4.9
|
37.8
|
1.0
|
|
CA
|
A:ASP95
|
4.9
|
38.6
|
1.0
|
|
C
|
A:ASN97
|
4.9
|
34.3
|
1.0
|
|
C
|
A:ILE100
|
4.9
|
26.9
|
1.0
|
|
C
|
A:ASP95
|
4.9
|
38.7
|
1.0
|
|
Calcium binding site 4 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 4 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1004
b:28.0
occ:1.00
|
O
|
A:GLN135
|
2.3
|
26.6
|
1.0
|
|
O
|
A:HOH3014
|
2.4
|
33.4
|
1.0
|
|
OD1
|
A:ASP129
|
2.4
|
25.8
|
1.0
|
|
OD1
|
A:ASP133
|
2.4
|
34.7
|
1.0
|
|
OD1
|
A:ASP131
|
2.5
|
33.9
|
1.0
|
|
OE1
|
A:GLU140
|
2.5
|
27.7
|
1.0
|
|
OE2
|
A:GLU140
|
2.6
|
27.7
|
1.0
|
|
CD
|
A:GLU140
|
2.9
|
26.0
|
1.0
|
|
CG
|
A:ASP131
|
3.2
|
36.4
|
1.0
|
|
CG
|
A:ASP133
|
3.3
|
36.0
|
1.0
|
|
C
|
A:GLN135
|
3.4
|
26.5
|
1.0
|
|
CG
|
A:ASP129
|
3.5
|
26.4
|
1.0
|
|
OD2
|
A:ASP131
|
3.5
|
37.8
|
1.0
|
|
OD2
|
A:ASP133
|
3.8
|
36.8
|
1.0
|
|
N
|
A:GLN135
|
4.1
|
27.6
|
1.0
|
|
OD2
|
A:ASP129
|
4.1
|
26.9
|
1.0
|
|
N
|
A:ASP133
|
4.2
|
34.2
|
1.0
|
|
N
|
A:ASP131
|
4.3
|
34.0
|
1.0
|
|
CA
|
A:GLN135
|
4.3
|
27.0
|
1.0
|
|
N
|
A:VAL136
|
4.3
|
28.6
|
1.0
|
|
CB
|
A:ASP133
|
4.4
|
32.8
|
1.0
|
|
N
|
A:ILE130
|
4.4
|
28.7
|
1.0
|
|
CA
|
A:VAL136
|
4.4
|
27.5
|
1.0
|
|
CG
|
A:GLU140
|
4.4
|
26.3
|
1.0
|
|
CA
|
A:ASP129
|
4.4
|
27.6
|
1.0
|
|
CB
|
A:ASP129
|
4.5
|
26.6
|
1.0
|
|
CB
|
A:ASP131
|
4.5
|
37.5
|
1.0
|
|
N
|
A:ASN137
|
4.6
|
30.0
|
1.0
|
|
N
|
A:GLY132
|
4.6
|
35.8
|
1.0
|
|
CB
|
A:GLN135
|
4.7
|
25.9
|
1.0
|
|
CA
|
A:ASP133
|
4.7
|
31.4
|
1.0
|
|
CA
|
A:ASP131
|
4.7
|
35.3
|
1.0
|
|
C
|
A:ASP131
|
4.8
|
36.4
|
1.0
|
|
N
|
A:GLY134
|
4.8
|
27.5
|
1.0
|
|
C
|
A:ASP129
|
4.9
|
26.5
|
1.0
|
|
C
|
A:ASP133
|
5.0
|
29.3
|
1.0
|
|
C
|
A:VAL136
|
5.0
|
29.8
|
1.0
|
|
Calcium binding site 5 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 5 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1005
b:45.8
occ:1.00
|
OD1
|
C:ASP24
|
2.0
|
53.5
|
1.0
|
|
OD1
|
C:ASP20
|
2.3
|
40.0
|
1.0
|
|
OE1
|
C:GLU31
|
2.3
|
44.6
|
1.0
|
|
OD1
|
C:ASP22
|
2.3
|
54.4
|
1.0
|
|
O
|
C:THR26
|
2.5
|
45.5
|
1.0
|
|
OE2
|
C:GLU31
|
2.6
|
42.0
|
1.0
|
|
CD
|
C:GLU31
|
2.8
|
41.9
|
1.0
|
|
CG
|
C:ASP24
|
3.2
|
56.3
|
1.0
|
|
CG
|
C:ASP22
|
3.3
|
54.1
|
1.0
|
|
CG
|
C:ASP20
|
3.5
|
40.3
|
1.0
|
|
OD2
|
C:ASP22
|
3.6
|
55.9
|
1.0
|
|
C
|
C:THR26
|
3.6
|
45.0
|
1.0
|
|
OD2
|
C:ASP24
|
3.9
|
57.1
|
1.0
|
|
CA
|
C:ASP20
|
4.1
|
39.8
|
1.0
|
|
N
|
C:ASP24
|
4.1
|
54.0
|
1.0
|
|
CG
|
C:GLU31
|
4.2
|
41.8
|
1.0
|
|
N
|
C:THR26
|
4.2
|
46.6
|
1.0
|
|
CB
|
C:ASP20
|
4.3
|
39.6
|
1.0
|
|
CB
|
C:ASP24
|
4.3
|
54.5
|
1.0
|
|
OD2
|
C:ASP20
|
4.4
|
37.6
|
1.0
|
|
CA
|
C:THR26
|
4.4
|
46.5
|
1.0
|
|
C
|
C:ASP20
|
4.5
|
42.7
|
1.0
|
|
N
|
C:ILE27
|
4.5
|
42.0
|
1.0
|
|
N
|
C:ASP22
|
4.6
|
50.2
|
1.0
|
|
CA
|
C:ILE27
|
4.6
|
41.7
|
1.0
|
|
CB
|
C:ASP22
|
4.6
|
52.9
|
1.0
|
|
N
|
C:GLY23
|
4.6
|
53.9
|
1.0
|
|
CA
|
C:ASP24
|
4.7
|
53.5
|
1.0
|
|
CG2
|
C:THR28
|
4.7
|
40.9
|
1.0
|
|
OG1
|
C:THR26
|
4.7
|
51.3
|
1.0
|
|
N
|
C:THR28
|
4.8
|
41.1
|
1.0
|
|
N
|
C:LYS21
|
4.8
|
45.1
|
1.0
|
|
O
|
C:ASP20
|
4.9
|
42.8
|
1.0
|
|
C
|
C:ASP22
|
4.9
|
53.2
|
1.0
|
|
N
|
C:GLY25
|
4.9
|
51.6
|
1.0
|
|
CA
|
C:ASP22
|
5.0
|
52.8
|
1.0
|
|
C
|
C:ASP24
|
5.0
|
53.1
|
1.0
|
|
Calcium binding site 6 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 6 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1006
b:47.8
occ:1.00
|
OD1
|
C:ASP58
|
2.1
|
52.9
|
1.0
|
|
OD1
|
C:ASN60
|
2.2
|
52.0
|
1.0
|
|
OD1
|
C:ASP56
|
2.3
|
54.8
|
1.0
|
|
OE1
|
C:GLU67
|
2.3
|
43.1
|
1.0
|
|
O
|
C:THR62
|
2.4
|
48.0
|
1.0
|
|
OE2
|
C:GLU67
|
2.5
|
37.1
|
1.0
|
|
CD
|
C:GLU67
|
2.7
|
37.5
|
1.0
|
|
CG
|
C:ASP58
|
3.1
|
54.1
|
1.0
|
|
CG
|
C:ASN60
|
3.4
|
53.2
|
1.0
|
|
OD2
|
C:ASP58
|
3.5
|
55.1
|
1.0
|
|
CG
|
C:ASP56
|
3.5
|
53.7
|
1.0
|
|
C
|
C:THR62
|
3.5
|
47.5
|
1.0
|
|
CA
|
C:ASP56
|
4.0
|
53.1
|
1.0
|
|
N
|
C:ASP58
|
4.1
|
54.0
|
1.0
|
|
CG
|
C:GLU67
|
4.2
|
35.6
|
1.0
|
|
ND2
|
C:ASN60
|
4.2
|
52.9
|
1.0
|
|
O
|
C:HOH3262
|
4.2
|
58.2
|
1.0
|
|
N
|
C:THR62
|
4.2
|
50.3
|
1.0
|
|
N
|
C:ASN60
|
4.3
|
52.5
|
1.0
|
|
CB
|
C:ASP56
|
4.3
|
53.4
|
1.0
|
|
C
|
C:ASP56
|
4.3
|
54.6
|
1.0
|
|
N
|
C:ALA57
|
4.3
|
54.8
|
1.0
|
|
CA
|
C:ILE63
|
4.3
|
42.8
|
1.0
|
|
N
|
C:ILE63
|
4.4
|
44.9
|
1.0
|
|
OD2
|
C:ASP56
|
4.4
|
53.7
|
1.0
|
|
CB
|
C:ASP58
|
4.4
|
54.8
|
1.0
|
|
N
|
C:ASP64
|
4.5
|
42.2
|
1.0
|
|
CA
|
C:THR62
|
4.5
|
49.0
|
1.0
|
|
CB
|
C:ASN60
|
4.5
|
52.3
|
1.0
|
|
OG1
|
C:THR62
|
4.6
|
50.8
|
1.0
|
|
OD2
|
C:ASP64
|
4.6
|
47.0
|
1.0
|
|
N
|
C:GLY59
|
4.6
|
54.5
|
1.0
|
|
CA
|
C:ASP58
|
4.7
|
54.5
|
1.0
|
|
CG
|
C:ASP64
|
4.7
|
43.4
|
1.0
|
|
C
|
C:ASP58
|
4.8
|
54.6
|
1.0
|
|
N
|
C:GLY61
|
4.8
|
50.6
|
1.0
|
|
CA
|
C:ASN60
|
4.8
|
51.8
|
1.0
|
|
C
|
C:ILE63
|
4.9
|
43.0
|
1.0
|
|
CB
|
C:GLU67
|
4.9
|
33.4
|
1.0
|
|
C
|
C:ASN60
|
5.0
|
51.7
|
1.0
|
|
OD1
|
C:ASP64
|
5.0
|
44.2
|
1.0
|
|
Calcium binding site 7 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 7 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1007
b:20.9
occ:1.00
|
OD1
|
C:ASP93
|
2.3
|
23.2
|
1.0
|
|
O
|
C:TYR99
|
2.4
|
21.2
|
1.0
|
|
OD1
|
C:ASP95
|
2.4
|
22.7
|
1.0
|
|
O
|
C:HOH3021
|
2.4
|
19.6
|
1.0
|
|
OD1
|
C:ASN97
|
2.5
|
20.7
|
1.0
|
|
OE2
|
C:GLU104
|
2.5
|
24.2
|
1.0
|
|
OE1
|
C:GLU104
|
2.5
|
23.0
|
1.0
|
|
CD
|
C:GLU104
|
2.8
|
24.4
|
1.0
|
|
CG
|
C:ASP95
|
3.3
|
27.0
|
1.0
|
|
CG
|
C:ASN97
|
3.4
|
20.6
|
1.0
|
|
CG
|
C:ASP93
|
3.5
|
24.4
|
1.0
|
|
C
|
C:TYR99
|
3.5
|
20.6
|
1.0
|
|
OD2
|
C:ASP95
|
3.6
|
25.0
|
1.0
|
|
ND2
|
C:ASN97
|
4.1
|
18.3
|
1.0
|
|
N
|
C:TYR99
|
4.1
|
21.2
|
1.0
|
|
N
|
C:ASN97
|
4.1
|
22.3
|
1.0
|
|
CA
|
C:ASP93
|
4.3
|
25.1
|
1.0
|
|
CG
|
C:GLU104
|
4.3
|
21.4
|
1.0
|
|
CA
|
C:TYR99
|
4.3
|
19.6
|
1.0
|
|
N
|
C:ASP95
|
4.3
|
27.0
|
1.0
|
|
OD2
|
C:ASP93
|
4.4
|
20.3
|
1.0
|
|
CB
|
C:ASP93
|
4.4
|
23.6
|
1.0
|
|
CB
|
C:ASN97
|
4.4
|
20.9
|
1.0
|
|
C
|
C:ASP93
|
4.5
|
27.2
|
1.0
|
|
O
|
C:HOH3026
|
4.5
|
18.1
|
1.0
|
|
N
|
C:ILE100
|
4.5
|
20.4
|
1.0
|
|
CB
|
C:ASP95
|
4.5
|
27.1
|
1.0
|
|
CA
|
C:ILE100
|
4.6
|
18.9
|
1.0
|
|
N
|
C:GLY96
|
4.6
|
24.0
|
1.0
|
|
N
|
C:SER101
|
4.7
|
19.8
|
1.0
|
|
CA
|
C:ASN97
|
4.7
|
20.9
|
1.0
|
|
N
|
C:LYS94
|
4.7
|
28.2
|
1.0
|
|
O
|
C:HOH3024
|
4.7
|
29.4
|
1.0
|
|
CB
|
C:TYR99
|
4.8
|
19.4
|
1.0
|
|
N
|
C:GLY98
|
4.8
|
21.2
|
1.0
|
|
O
|
C:HOH3025
|
4.8
|
27.7
|
1.0
|
|
CA
|
C:ASP95
|
4.8
|
25.0
|
1.0
|
|
C
|
C:ASP95
|
4.9
|
23.9
|
1.0
|
|
O
|
C:ASP93
|
4.9
|
25.8
|
1.0
|
|
C
|
C:ASN97
|
5.0
|
21.5
|
1.0
|
|
Calcium binding site 8 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 8 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1008
b:23.5
occ:1.00
|
OD1
|
C:ASP131
|
2.2
|
24.9
|
1.0
|
|
OD1
|
C:ASP129
|
2.2
|
21.6
|
1.0
|
|
O
|
C:GLN135
|
2.3
|
24.1
|
1.0
|
|
OD1
|
C:ASP133
|
2.4
|
22.6
|
1.0
|
|
O
|
C:HOH3030
|
2.5
|
22.6
|
1.0
|
|
OE2
|
C:GLU140
|
2.5
|
25.2
|
1.0
|
|
OE1
|
C:GLU140
|
2.5
|
23.2
|
1.0
|
|
CD
|
C:GLU140
|
2.9
|
24.4
|
1.0
|
|
CG
|
C:ASP131
|
3.3
|
29.0
|
1.0
|
|
CG
|
C:ASP129
|
3.3
|
25.0
|
1.0
|
|
CG
|
C:ASP133
|
3.3
|
21.9
|
1.0
|
|
C
|
C:GLN135
|
3.4
|
23.5
|
1.0
|
|
OD2
|
C:ASP131
|
3.8
|
30.4
|
1.0
|
|
OD2
|
C:ASP133
|
3.9
|
22.6
|
1.0
|
|
N
|
C:GLN135
|
4.1
|
22.6
|
1.0
|
|
N
|
C:ASP133
|
4.1
|
25.0
|
1.0
|
|
OD2
|
C:ASP129
|
4.1
|
25.5
|
1.0
|
|
CA
|
C:ASP129
|
4.2
|
26.8
|
1.0
|
|
CB
|
C:ASP129
|
4.2
|
25.3
|
1.0
|
|
N
|
C:ASP131
|
4.2
|
28.6
|
1.0
|
|
CA
|
C:GLN135
|
4.3
|
23.1
|
1.0
|
|
N
|
C:VAL136
|
4.3
|
21.7
|
1.0
|
|
CB
|
C:ASP133
|
4.4
|
22.6
|
1.0
|
|
CG
|
C:GLU140
|
4.4
|
23.4
|
1.0
|
|
CA
|
C:VAL136
|
4.4
|
22.0
|
1.0
|
|
N
|
C:ASN137
|
4.4
|
20.0
|
1.0
|
|
N
|
C:GLY132
|
4.5
|
26.9
|
1.0
|
|
O
|
C:HOH3145
|
4.5
|
36.5
|
1.0
|
|
C
|
C:ASP129
|
4.5
|
29.2
|
1.0
|
|
N
|
C:ILE130
|
4.5
|
29.4
|
1.0
|
|
CB
|
C:ASP131
|
4.6
|
27.3
|
1.0
|
|
CB
|
C:GLN135
|
4.7
|
21.3
|
1.0
|
|
CA
|
C:ASP131
|
4.7
|
27.7
|
1.0
|
|
CA
|
C:ASP133
|
4.7
|
21.8
|
1.0
|
|
N
|
C:GLY134
|
4.8
|
19.7
|
1.0
|
|
C
|
C:ASP131
|
4.8
|
26.4
|
1.0
|
|
C
|
C:VAL136
|
4.9
|
21.5
|
1.0
|
|
C
|
C:ASP133
|
5.0
|
22.4
|
1.0
|
|
Calcium binding site 9 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 9 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1009
b:55.4
occ:1.00
|
OD1
|
E:ASP24
|
2.1
|
60.5
|
1.0
|
|
OD1
|
E:ASP20
|
2.3
|
49.8
|
1.0
|
|
O
|
E:THR26
|
2.3
|
53.9
|
1.0
|
|
O
|
E:HOH3031
|
2.4
|
46.7
|
1.0
|
|
OE2
|
E:GLU31
|
2.5
|
53.7
|
1.0
|
|
OE1
|
E:GLU31
|
2.6
|
53.7
|
1.0
|
|
OD1
|
E:ASP22
|
2.9
|
57.9
|
1.0
|
|
CD
|
E:GLU31
|
2.9
|
53.8
|
1.0
|
|
OD2
|
E:ASP22
|
3.0
|
59.6
|
1.0
|
|
CG
|
E:ASP24
|
3.1
|
62.1
|
1.0
|
|
CG
|
E:ASP22
|
3.2
|
58.5
|
1.0
|
|
CG
|
E:ASP20
|
3.5
|
48.3
|
1.0
|
|
C
|
E:THR26
|
3.5
|
54.2
|
1.0
|
|
OD2
|
E:ASP24
|
3.6
|
62.5
|
1.0
|
|
OG1
|
E:THR26
|
4.0
|
55.5
|
1.0
|
|
CA
|
E:ASP20
|
4.1
|
48.2
|
1.0
|
|
CB
|
E:ASP20
|
4.2
|
47.9
|
1.0
|
|
N
|
E:THR26
|
4.2
|
55.0
|
1.0
|
|
CB
|
E:ASP24
|
4.3
|
61.0
|
1.0
|
|
CG
|
E:GLU31
|
4.4
|
53.8
|
1.0
|
|
N
|
E:ASP24
|
4.4
|
59.8
|
1.0
|
|
CA
|
E:THR26
|
4.4
|
54.6
|
1.0
|
|
OD2
|
E:ASP20
|
4.4
|
47.5
|
1.0
|
|
N
|
E:ILE27
|
4.4
|
53.1
|
1.0
|
|
CA
|
E:ILE27
|
4.5
|
52.0
|
1.0
|
|
N
|
E:ASP22
|
4.6
|
58.7
|
1.0
|
|
CB
|
E:ASP22
|
4.6
|
59.1
|
1.0
|
|
C
|
E:ASP20
|
4.6
|
49.8
|
1.0
|
|
N
|
E:LYS21
|
4.8
|
53.3
|
1.0
|
|
N
|
E:GLY25
|
4.8
|
58.4
|
1.0
|
|
CA
|
E:ASP24
|
4.9
|
60.0
|
1.0
|
|
CB
|
E:THR26
|
4.9
|
55.2
|
1.0
|
|
N
|
E:THR28
|
4.9
|
53.7
|
1.0
|
|
N
|
E:GLY23
|
4.9
|
59.8
|
1.0
|
|
CA
|
E:ASP22
|
5.0
|
59.1
|
1.0
|
|
CG2
|
E:THR28
|
5.0
|
54.8
|
1.0
|
|
Calcium binding site 10 out
of 16 in 1niw
Go back to
Calcium Binding Sites List in 1niw
Calcium binding site 10 out
of 16 in the Crystal Structure of Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin
 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 Endothelial Nitric Oxide Synthase Peptide Bound to Calmodulin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca1010
b:56.0
occ:1.00
|
OE1
|
E:GLU67
|
2.3
|
51.8
|
1.0
|
|
OD1
|
E:ASN60
|
2.3
|
56.1
|
1.0
|
|
O
|
E:THR62
|
2.4
|
51.7
|
1.0
|
|
OE2
|
E:GLU67
|
2.4
|
48.5
|
1.0
|
|
OD1
|
E:ASP58
|
2.4
|
60.5
|
1.0
|
|
OD1
|
E:ASP56
|
2.5
|
59.2
|
1.0
|
|
OD2
|
E:ASP58
|
2.6
|
63.4
|
1.0
|
|
CD
|
E:GLU67
|
2.6
|
48.0
|
1.0
|
|
CG
|
E:ASP58
|
2.8
|
61.8
|
1.0
|
|
CG
|
E:ASN60
|
3.3
|
56.4
|
1.0
|
|
C
|
E:THR62
|
3.5
|
51.6
|
1.0
|
|
CG
|
E:ASP56
|
3.7
|
60.5
|
1.0
|
|
ND2
|
E:ASN60
|
4.0
|
55.5
|
1.0
|
|
CG
|
E:GLU67
|
4.1
|
45.6
|
1.0
|
|
CB
|
E:ASP58
|
4.2
|
60.7
|
1.0
|
|
CA
|
E:ASP56
|
4.2
|
60.3
|
1.0
|
|
N
|
E:THR62
|
4.3
|
53.6
|
1.0
|
|
N
|
E:ASN60
|
4.3
|
58.0
|
1.0
|
|
O
|
E:HOH3032
|
4.3
|
45.0
|
1.0
|
|
N
|
E:ASP58
|
4.3
|
61.0
|
1.0
|
|
N
|
E:ILE63
|
4.4
|
49.9
|
1.0
|
|
CA
|
E:ILE63
|
4.4
|
48.7
|
1.0
|
|
CB
|
E:ASP56
|
4.4
|
60.0
|
1.0
|
|
OD1
|
E:ASP64
|
4.4
|
53.7
|
1.0
|
|
N
|
E:ASP64
|
4.4
|
46.8
|
1.0
|
|
CB
|
E:ASN60
|
4.4
|
57.0
|
1.0
|
|
CA
|
E:THR62
|
4.5
|
53.0
|
1.0
|
|
OD2
|
E:ASP56
|
4.6
|
61.6
|
1.0
|
|
C
|
E:ASP56
|
4.6
|
60.3
|
1.0
|
|
N
|
E:GLY59
|
4.7
|
59.9
|
1.0
|
|
CA
|
E:ASP58
|
4.7
|
61.0
|
1.0
|
|
OG1
|
E:THR62
|
4.7
|
53.4
|
1.0
|
|
N
|
E:ALA57
|
4.7
|
59.5
|
1.0
|
|
CA
|
E:ASN60
|
4.8
|
57.4
|
1.0
|
|
N
|
E:GLY61
|
4.8
|
56.9
|
1.0
|
|
C
|
E:ILE63
|
4.8
|
47.8
|
1.0
|
|
C
|
E:ASP58
|
4.8
|
60.9
|
1.0
|
|
CB
|
E:GLU67
|
5.0
|
42.9
|
1.0
|
|
Reference:
M.Aoyagi,
A.S.Arvai,
J.A.Tainer,
E.D.Getzoff.
Structural Basis For Endothelial Nitric Oxide Synthase Binding to Calmodulin Embo J. V. 22 766 2003.
ISSN: ISSN 0261-4189
PubMed: 12574113
DOI: 10.1093/EMBOJ/CDG078
Page generated: Sat Dec 12 03:08:45 2020
|
