Calcium in PDB 8fms: Complex Structure of K210 Deletion Troponin Complex with Neridronate
Protein crystallography data
The structure of Complex Structure of K210 Deletion Troponin Complex with Neridronate, PDB code: 8fms
was solved by
P.Wang,
M.Ahmed,
H.Sadek,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
43.66 /
3.44
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
40.763,
170.378,
69.709,
90,
101.74,
90
|
R / Rfree (%)
|
25.5 /
28.4
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Complex Structure of K210 Deletion Troponin Complex with Neridronate
(pdb code 8fms). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the
Complex Structure of K210 Deletion Troponin Complex with Neridronate, PDB code: 8fms:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
Calcium binding site 1 out
of 6 in 8fms
Go back to
Calcium Binding Sites List in 8fms
Calcium binding site 1 out
of 6 in the Complex Structure of K210 Deletion Troponin Complex with Neridronate
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Complex Structure of K210 Deletion Troponin Complex with Neridronate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca201
b:32.1
occ:1.00
|
O
|
A:THR71
|
2.5
|
57.4
|
1.0
|
CB
|
A:ASP67
|
3.0
|
62.9
|
1.0
|
OD2
|
A:ASP67
|
3.0
|
42.8
|
1.0
|
OD1
|
A:ASP65
|
3.0
|
77.5
|
1.0
|
OE1
|
A:GLU76
|
3.1
|
51.6
|
1.0
|
OE2
|
A:GLU76
|
3.2
|
29.2
|
1.0
|
CG
|
A:ASP67
|
3.3
|
46.5
|
1.0
|
CD
|
A:GLU76
|
3.5
|
41.3
|
1.0
|
C
|
A:THR71
|
3.7
|
74.2
|
1.0
|
OG1
|
A:THR71
|
4.0
|
58.5
|
1.0
|
CG
|
A:ASP65
|
4.1
|
70.8
|
1.0
|
N
|
A:SER69
|
4.1
|
65.0
|
1.0
|
CB
|
A:SER69
|
4.1
|
65.0
|
1.0
|
OD2
|
A:ASP73
|
4.2
|
36.5
|
1.0
|
CA
|
A:ASP67
|
4.3
|
76.7
|
1.0
|
N
|
A:THR71
|
4.3
|
81.2
|
1.0
|
CG
|
A:ASP73
|
4.4
|
35.6
|
1.0
|
OD1
|
A:ASP67
|
4.4
|
27.0
|
1.0
|
N
|
A:ASP73
|
4.5
|
48.2
|
1.0
|
CA
|
A:THR71
|
4.5
|
75.7
|
1.0
|
N
|
A:GLY68
|
4.5
|
61.2
|
1.0
|
CA
|
A:SER69
|
4.5
|
60.6
|
1.0
|
OD2
|
A:ASP65
|
4.5
|
67.2
|
1.0
|
C
|
A:ASP67
|
4.6
|
97.8
|
1.0
|
N
|
A:VAL72
|
4.7
|
63.8
|
1.0
|
N
|
A:ASP67
|
4.7
|
65.9
|
1.0
|
C
|
A:SER69
|
4.7
|
57.8
|
1.0
|
CA
|
A:VAL72
|
4.8
|
45.3
|
1.0
|
OD1
|
A:ASP73
|
4.8
|
28.5
|
1.0
|
CB
|
A:THR71
|
4.8
|
64.7
|
1.0
|
CB
|
A:ASP73
|
4.9
|
39.2
|
1.0
|
CG
|
A:GLU76
|
5.0
|
41.9
|
1.0
|
N
|
A:GLY70
|
5.0
|
94.0
|
1.0
|
|
Calcium binding site 2 out
of 6 in 8fms
Go back to
Calcium Binding Sites List in 8fms
Calcium binding site 2 out
of 6 in the Complex Structure of K210 Deletion Troponin Complex with Neridronate
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Complex Structure of K210 Deletion Troponin Complex with Neridronate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca202
b:30.4
occ:1.00
|
OD2
|
A:ASP109
|
2.4
|
27.6
|
1.0
|
O
|
A:TYR111
|
2.4
|
31.0
|
1.0
|
OD1
|
A:ASN107
|
2.4
|
29.3
|
1.0
|
OE1
|
A:GLU116
|
2.5
|
17.6
|
1.0
|
OD1
|
A:ASP105
|
2.5
|
25.9
|
1.0
|
OE2
|
A:GLU116
|
2.5
|
16.0
|
1.0
|
CD
|
A:GLU116
|
2.8
|
22.3
|
1.0
|
CG
|
A:ASP109
|
3.0
|
30.9
|
1.0
|
OD1
|
A:ASP109
|
3.2
|
36.4
|
1.0
|
CG
|
A:ASN107
|
3.4
|
29.6
|
1.0
|
C
|
A:TYR111
|
3.4
|
33.5
|
1.0
|
CG
|
A:ASP105
|
3.6
|
22.0
|
1.0
|
ND2
|
A:ASN107
|
3.8
|
29.1
|
1.0
|
OD2
|
A:ASP113
|
3.9
|
34.8
|
1.0
|
CA
|
A:ASP105
|
4.1
|
27.6
|
1.0
|
N
|
A:TYR111
|
4.2
|
29.5
|
1.0
|
N
|
A:ASP113
|
4.2
|
43.2
|
1.0
|
N
|
A:ILE112
|
4.3
|
16.8
|
1.0
|
CG
|
A:ASP113
|
4.3
|
43.4
|
1.0
|
CB
|
A:ASP105
|
4.3
|
25.4
|
1.0
|
CA
|
A:TYR111
|
4.3
|
30.7
|
1.0
|
CG
|
A:GLU116
|
4.3
|
28.5
|
1.0
|
CA
|
A:ILE112
|
4.3
|
24.6
|
1.0
|
CB
|
A:ASP109
|
4.3
|
27.7
|
1.0
|
OD2
|
A:ASP105
|
4.4
|
15.8
|
1.0
|
N
|
A:ASP109
|
4.5
|
28.7
|
1.0
|
OD1
|
A:ASP113
|
4.6
|
58.0
|
1.0
|
C
|
A:ASP105
|
4.6
|
29.6
|
1.0
|
N
|
A:LYS106
|
4.7
|
23.0
|
1.0
|
N
|
A:ASN107
|
4.7
|
32.7
|
1.0
|
CB
|
A:ASN107
|
4.7
|
29.3
|
1.0
|
CB
|
A:TYR111
|
4.8
|
26.8
|
1.0
|
C
|
A:ILE112
|
4.8
|
32.0
|
1.0
|
N
|
A:ALA108
|
4.9
|
28.0
|
1.0
|
N
|
A:GLY110
|
4.9
|
24.9
|
1.0
|
CA
|
A:ASP109
|
4.9
|
28.2
|
1.0
|
CB
|
A:ASP113
|
5.0
|
37.4
|
1.0
|
|
Calcium binding site 3 out
of 6 in 8fms
Go back to
Calcium Binding Sites List in 8fms
Calcium binding site 3 out
of 6 in the Complex Structure of K210 Deletion Troponin Complex with Neridronate
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Complex Structure of K210 Deletion Troponin Complex with Neridronate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca203
b:29.1
occ:1.00
|
OD1
|
A:ASP145
|
2.3
|
47.4
|
1.0
|
OE1
|
A:GLU152
|
2.4
|
28.3
|
1.0
|
O
|
A:ARG147
|
2.5
|
20.3
|
1.0
|
OD1
|
A:ASN143
|
2.6
|
38.8
|
1.0
|
OD2
|
A:ASP145
|
2.7
|
58.8
|
1.0
|
CG
|
A:ASP145
|
2.8
|
58.0
|
1.0
|
OD1
|
A:ASP141
|
2.9
|
53.3
|
1.0
|
OE2
|
A:GLU152
|
3.0
|
38.7
|
1.0
|
CD
|
A:GLU152
|
3.1
|
31.3
|
1.0
|
CG
|
A:ASN143
|
3.6
|
55.0
|
1.0
|
C
|
A:ARG147
|
3.6
|
32.5
|
1.0
|
CG
|
A:ASP141
|
3.8
|
56.8
|
1.0
|
ND2
|
A:ASN143
|
3.9
|
55.4
|
1.0
|
OD1
|
A:ASP149
|
3.9
|
25.3
|
1.0
|
CA
|
A:ILE148
|
4.2
|
28.7
|
1.0
|
N
|
A:ASP149
|
4.3
|
25.8
|
1.0
|
N
|
A:ILE148
|
4.3
|
25.7
|
1.0
|
CB
|
A:ASP145
|
4.3
|
53.3
|
1.0
|
CG
|
A:ARG147
|
4.5
|
47.9
|
1.0
|
OD2
|
A:ASP141
|
4.5
|
64.8
|
1.0
|
CA
|
A:ASP141
|
4.5
|
44.7
|
1.0
|
CG
|
A:GLU152
|
4.5
|
27.4
|
1.0
|
CB
|
A:ASP141
|
4.6
|
49.9
|
1.0
|
N
|
A:ASP145
|
4.7
|
52.7
|
1.0
|
CA
|
A:ARG147
|
4.7
|
42.0
|
1.0
|
N
|
A:ARG147
|
4.7
|
45.1
|
1.0
|
N
|
A:ASN143
|
4.7
|
67.7
|
1.0
|
C
|
A:ILE148
|
4.8
|
23.8
|
1.0
|
N
|
A:LYS142
|
4.9
|
45.7
|
1.0
|
CB
|
A:ASN143
|
4.9
|
56.6
|
1.0
|
CG
|
A:ASP149
|
5.0
|
24.6
|
1.0
|
CA
|
A:ASP145
|
5.0
|
45.8
|
1.0
|
C
|
A:ASP141
|
5.0
|
42.5
|
1.0
|
|
Calcium binding site 4 out
of 6 in 8fms
Go back to
Calcium Binding Sites List in 8fms
Calcium binding site 4 out
of 6 in the Complex Structure of K210 Deletion Troponin Complex with Neridronate
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Complex Structure of K210 Deletion Troponin Complex with Neridronate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca201
b:40.1
occ:1.00
|
OD2
|
D:ASP67
|
2.5
|
81.2
|
1.0
|
OG
|
D:SER69
|
2.5
|
46.6
|
1.0
|
OE1
|
D:GLU76
|
2.5
|
33.1
|
1.0
|
OD1
|
D:ASP67
|
2.6
|
66.4
|
1.0
|
O
|
D:THR71
|
2.8
|
43.6
|
1.0
|
CG
|
D:ASP67
|
2.9
|
73.0
|
1.0
|
OE2
|
D:GLU76
|
3.1
|
35.8
|
1.0
|
CD
|
D:GLU76
|
3.2
|
35.5
|
1.0
|
CB
|
D:SER69
|
3.6
|
57.8
|
1.0
|
OD1
|
D:ASP65
|
3.7
|
51.2
|
1.0
|
C
|
D:THR71
|
3.8
|
34.8
|
1.0
|
OG1
|
D:THR71
|
3.9
|
33.2
|
1.0
|
OD2
|
D:ASP73
|
4.1
|
35.3
|
1.0
|
N
|
D:ASP73
|
4.3
|
33.2
|
1.0
|
CG
|
D:ASP73
|
4.3
|
36.5
|
1.0
|
CB
|
D:ASP67
|
4.4
|
63.6
|
1.0
|
CB
|
D:ASP73
|
4.5
|
36.6
|
1.0
|
N
|
D:VAL72
|
4.6
|
32.5
|
1.0
|
N
|
D:THR71
|
4.6
|
43.0
|
1.0
|
CA
|
D:VAL72
|
4.6
|
27.2
|
1.0
|
CA
|
D:THR71
|
4.6
|
35.3
|
1.0
|
CG
|
D:GLU76
|
4.7
|
30.9
|
1.0
|
OD1
|
D:ASP73
|
4.7
|
35.0
|
1.0
|
C
|
D:VAL72
|
4.7
|
24.7
|
1.0
|
CA
|
D:SER69
|
4.8
|
56.8
|
1.0
|
CB
|
D:THR71
|
4.8
|
35.0
|
1.0
|
N
|
D:SER69
|
4.9
|
64.6
|
1.0
|
CG
|
D:ASP65
|
4.9
|
51.7
|
1.0
|
|
Calcium binding site 5 out
of 6 in 8fms
Go back to
Calcium Binding Sites List in 8fms
Calcium binding site 5 out
of 6 in the Complex Structure of K210 Deletion Troponin Complex with Neridronate
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Complex Structure of K210 Deletion Troponin Complex with Neridronate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca202
b:11.4
occ:1.00
|
OE2
|
D:GLU116
|
2.3
|
22.3
|
1.0
|
OD1
|
D:ASN107
|
2.4
|
18.2
|
1.0
|
OD1
|
D:ASP109
|
2.4
|
18.4
|
1.0
|
O
|
D:TYR111
|
2.4
|
23.9
|
1.0
|
OE1
|
D:GLU116
|
2.5
|
27.9
|
1.0
|
OD1
|
D:ASP105
|
2.6
|
28.3
|
1.0
|
CD
|
D:GLU116
|
2.7
|
28.1
|
1.0
|
CG
|
D:ASP109
|
3.1
|
18.9
|
1.0
|
OD2
|
D:ASP109
|
3.2
|
15.8
|
1.0
|
C
|
D:TYR111
|
3.4
|
29.8
|
1.0
|
CG
|
D:ASN107
|
3.4
|
18.5
|
1.0
|
CG
|
D:ASP105
|
3.6
|
25.9
|
1.0
|
ND2
|
D:ASN107
|
4.0
|
21.2
|
1.0
|
CA
|
D:ASP105
|
4.2
|
19.5
|
1.0
|
CB
|
D:ASP105
|
4.2
|
22.9
|
1.0
|
CG
|
D:GLU116
|
4.2
|
33.4
|
1.0
|
N
|
D:ILE112
|
4.3
|
29.6
|
1.0
|
N
|
D:TYR111
|
4.3
|
26.1
|
1.0
|
N
|
D:ASP113
|
4.3
|
37.5
|
1.0
|
CA
|
D:TYR111
|
4.3
|
26.9
|
1.0
|
CA
|
D:ILE112
|
4.4
|
30.0
|
1.0
|
N
|
D:LYS106
|
4.4
|
17.6
|
1.0
|
N
|
D:ASN107
|
4.5
|
14.4
|
1.0
|
N
|
D:ASP109
|
4.5
|
20.8
|
1.0
|
CB
|
D:ASP109
|
4.5
|
17.6
|
1.0
|
OD1
|
D:ASP113
|
4.6
|
61.6
|
1.0
|
C
|
D:ASP105
|
4.6
|
15.9
|
1.0
|
OD2
|
D:ASP105
|
4.6
|
18.6
|
1.0
|
CB
|
D:ASN107
|
4.7
|
15.7
|
1.0
|
CB
|
D:TYR111
|
4.7
|
26.7
|
1.0
|
N
|
D:ALA108
|
4.8
|
19.4
|
1.0
|
C
|
D:ILE112
|
4.8
|
30.2
|
1.0
|
CA
|
D:ASP109
|
4.9
|
19.3
|
1.0
|
CA
|
D:ASN107
|
5.0
|
15.4
|
1.0
|
CB
|
D:ASP113
|
5.0
|
47.4
|
1.0
|
|
Calcium binding site 6 out
of 6 in 8fms
Go back to
Calcium Binding Sites List in 8fms
Calcium binding site 6 out
of 6 in the Complex Structure of K210 Deletion Troponin Complex with Neridronate
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Complex Structure of K210 Deletion Troponin Complex with Neridronate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca203
b:18.7
occ:1.00
|
OE1
|
D:GLU152
|
2.3
|
21.0
|
1.0
|
OD1
|
D:ASP145
|
2.4
|
37.5
|
1.0
|
O
|
D:ARG147
|
2.4
|
20.2
|
1.0
|
OD1
|
D:ASN143
|
2.4
|
22.4
|
1.0
|
OD1
|
D:ASP141
|
2.6
|
29.2
|
1.0
|
OE2
|
D:GLU152
|
2.6
|
22.8
|
1.0
|
CD
|
D:GLU152
|
2.8
|
22.9
|
1.0
|
CG
|
D:ASP145
|
3.1
|
43.3
|
1.0
|
OD2
|
D:ASP145
|
3.3
|
46.1
|
1.0
|
CG
|
D:ASN143
|
3.5
|
31.7
|
1.0
|
CG
|
D:ASP141
|
3.6
|
29.3
|
1.0
|
C
|
D:ARG147
|
3.6
|
21.6
|
1.0
|
ND2
|
D:ASN143
|
4.1
|
31.2
|
1.0
|
OD2
|
D:ASP141
|
4.2
|
27.1
|
1.0
|
CA
|
D:ILE148
|
4.2
|
20.8
|
1.0
|
CG
|
D:GLU152
|
4.3
|
22.9
|
1.0
|
N
|
D:ASP149
|
4.3
|
24.2
|
1.0
|
N
|
D:ILE148
|
4.4
|
19.9
|
1.0
|
CB
|
D:ASP145
|
4.4
|
35.6
|
1.0
|
CA
|
D:ASP141
|
4.4
|
24.8
|
1.0
|
N
|
D:ASP145
|
4.5
|
40.5
|
1.0
|
CB
|
D:ASP141
|
4.5
|
24.2
|
1.0
|
N
|
D:ASN143
|
4.6
|
33.0
|
1.0
|
N
|
D:ARG147
|
4.6
|
29.2
|
1.0
|
CA
|
D:ARG147
|
4.7
|
27.2
|
1.0
|
OD1
|
D:ASP149
|
4.7
|
31.1
|
1.0
|
N
|
D:LYS142
|
4.7
|
29.3
|
1.0
|
C
|
D:ILE148
|
4.7
|
21.5
|
1.0
|
CB
|
D:ASN143
|
4.7
|
35.9
|
1.0
|
CG
|
D:ARG147
|
4.8
|
31.2
|
1.0
|
N
|
D:ASN144
|
4.8
|
31.5
|
1.0
|
CB
|
D:GLU152
|
4.9
|
23.5
|
1.0
|
C
|
D:ASP141
|
4.9
|
27.2
|
1.0
|
CA
|
D:ASP145
|
5.0
|
33.0
|
1.0
|
|
Reference:
P.Wang,
M.Ahmed,
H.Sadek.
Structural and Phenotypic Correction of K210DEL Genetic Cardiomyopathy By An Fda Approved Drug To Be Published.
Page generated: Fri Jul 19 09:00:00 2024
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