Calcium in PDB 5nem: Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A.
Calcium Binding Sites:
The binding sites of Calcium atom in the Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A.
(pdb code 5nem). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A., PDB code: 5nem:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 5nem
Go back to
Calcium Binding Sites List in 5nem
Calcium binding site 1 out
of 4 in the Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca618
b:72.0
occ:1.00
|
ND2
|
A:ASN417
|
2.3
|
0.8
|
1.0
|
OD1
|
A:ASP415
|
2.3
|
88.2
|
1.0
|
OD1
|
A:ASP421
|
2.4
|
93.8
|
1.0
|
OD1
|
A:ASN417
|
2.4
|
0.3
|
1.0
|
O
|
A:TYR419
|
2.4
|
0.2
|
1.0
|
CG
|
A:ASN417
|
2.6
|
0.8
|
1.0
|
OD2
|
A:ASP415
|
2.9
|
99.5
|
1.0
|
CG
|
A:ASP415
|
2.9
|
77.1
|
1.0
|
CG
|
A:ASP421
|
3.1
|
84.4
|
1.0
|
OD2
|
A:ASP421
|
3.2
|
85.6
|
1.0
|
C
|
A:TYR419
|
3.6
|
92.2
|
1.0
|
O
|
A:ALA437
|
3.6
|
87.3
|
1.0
|
OD1
|
A:ASP413
|
3.7
|
75.5
|
1.0
|
N
|
A:ALA437
|
3.7
|
91.7
|
1.0
|
CB
|
A:ASN417
|
4.0
|
97.4
|
1.0
|
CB
|
A:ALA437
|
4.2
|
68.2
|
1.0
|
CB
|
A:TYR419
|
4.3
|
97.7
|
1.0
|
CA
|
A:TYR419
|
4.3
|
73.2
|
1.0
|
CA
|
A:ALA437
|
4.3
|
90.4
|
1.0
|
CB
|
A:ASP415
|
4.4
|
78.5
|
1.0
|
C
|
A:ALA437
|
4.4
|
84.4
|
1.0
|
N
|
A:TYR419
|
4.5
|
76.1
|
1.0
|
CG
|
A:ARG436
|
4.5
|
75.1
|
1.0
|
CB
|
A:ASP421
|
4.5
|
70.8
|
1.0
|
C
|
A:PRO420
|
4.6
|
79.0
|
1.0
|
N
|
A:PRO420
|
4.6
|
88.6
|
1.0
|
CB
|
A:ARG436
|
4.6
|
79.0
|
1.0
|
N
|
A:ASN417
|
4.6
|
95.2
|
1.0
|
O
|
A:PRO420
|
4.7
|
83.6
|
1.0
|
C
|
A:ARG436
|
4.7
|
68.1
|
1.0
|
N
|
A:ASP421
|
4.7
|
72.2
|
1.0
|
CA
|
A:ARG436
|
4.8
|
68.0
|
1.0
|
N
|
A:ASP415
|
4.8
|
76.0
|
1.0
|
CA
|
A:ASN417
|
4.8
|
94.9
|
1.0
|
CA
|
A:PRO420
|
4.9
|
86.8
|
1.0
|
CG
|
A:ASP413
|
4.9
|
91.3
|
1.0
|
CD2
|
A:LEU574
|
4.9
|
88.3
|
1.0
|
CD
|
A:ARG436
|
5.0
|
75.9
|
1.0
|
CA
|
A:ASP421
|
5.0
|
66.7
|
1.0
|
|
Calcium binding site 2 out
of 4 in 5nem
Go back to
Calcium Binding Sites List in 5nem
Calcium binding site 2 out
of 4 in the Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca619
b:60.1
occ:1.00
|
O
|
A:PHE355
|
2.2
|
63.9
|
1.0
|
OD1
|
A:ASP353
|
2.3
|
67.6
|
1.0
|
OD1
|
A:ASP351
|
2.3
|
73.0
|
1.0
|
OD1
|
A:ASP357
|
2.4
|
97.0
|
1.0
|
OD2
|
A:ASP357
|
2.4
|
78.7
|
1.0
|
OD1
|
A:ASP349
|
2.4
|
83.5
|
1.0
|
CG
|
A:ASP357
|
2.6
|
82.9
|
1.0
|
C
|
A:PHE355
|
3.4
|
73.6
|
1.0
|
CG
|
A:ASP351
|
3.4
|
79.7
|
1.0
|
CG
|
A:ASP353
|
3.5
|
83.2
|
1.0
|
CG
|
A:ASP349
|
3.5
|
83.8
|
1.0
|
OD2
|
A:ASP351
|
3.8
|
79.7
|
1.0
|
CA
|
A:ASP349
|
4.1
|
69.8
|
1.0
|
C
|
A:ASN356
|
4.1
|
68.3
|
1.0
|
CB
|
A:ASP357
|
4.1
|
57.3
|
1.0
|
N
|
A:LEU350
|
4.1
|
75.2
|
1.0
|
O
|
A:ASN356
|
4.2
|
78.1
|
1.0
|
N
|
A:ASP351
|
4.2
|
83.5
|
1.0
|
OD2
|
A:ASP353
|
4.2
|
86.9
|
1.0
|
N
|
A:PHE355
|
4.2
|
68.4
|
1.0
|
N
|
A:ASP357
|
4.3
|
57.8
|
1.0
|
ND2
|
A:ASN377
|
4.3
|
87.0
|
1.0
|
CA
|
A:PHE355
|
4.3
|
78.9
|
1.0
|
C
|
A:ASP349
|
4.3
|
71.1
|
1.0
|
OD2
|
A:ASP349
|
4.3
|
70.5
|
1.0
|
N
|
A:ASN356
|
4.3
|
67.6
|
1.0
|
CB
|
A:ASP349
|
4.4
|
80.1
|
1.0
|
CA
|
A:ASN356
|
4.4
|
68.4
|
1.0
|
N
|
A:ASP353
|
4.5
|
81.0
|
1.0
|
CB
|
A:ASP353
|
4.5
|
72.0
|
1.0
|
CB
|
A:PHE355
|
4.5
|
76.8
|
1.0
|
CA
|
A:ASP357
|
4.6
|
70.2
|
1.0
|
N
|
A:GLY378
|
4.7
|
65.6
|
1.0
|
O
|
A:GLY378
|
4.7
|
66.2
|
1.0
|
CB
|
A:ASP351
|
4.7
|
84.9
|
1.0
|
N
|
A:GLN352
|
4.7
|
76.4
|
1.0
|
O
|
A:GLY348
|
4.8
|
68.1
|
1.0
|
CA
|
A:ASP351
|
4.9
|
83.1
|
1.0
|
|
Calcium binding site 3 out
of 4 in 5nem
Go back to
Calcium Binding Sites List in 5nem
Calcium binding site 3 out
of 4 in the Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca620
b:60.0
occ:1.00
|
OD1
|
A:ASP238
|
2.4
|
77.1
|
1.0
|
OD1
|
A:ASN232
|
2.4
|
82.5
|
1.0
|
OD1
|
A:ASP234
|
2.4
|
71.5
|
1.0
|
O
|
A:ILE236
|
2.5
|
78.1
|
1.0
|
OD2
|
A:ASP238
|
2.5
|
70.2
|
1.0
|
OD1
|
A:ASP230
|
2.5
|
65.6
|
1.0
|
CG
|
A:ASP238
|
2.7
|
70.5
|
1.0
|
CG
|
A:ASN232
|
3.2
|
81.8
|
1.0
|
CG
|
A:ASP234
|
3.4
|
72.5
|
1.0
|
ND2
|
A:ASN232
|
3.5
|
88.0
|
1.0
|
C
|
A:ILE236
|
3.6
|
86.4
|
1.0
|
CG
|
A:ASP230
|
3.7
|
85.4
|
1.0
|
OD2
|
A:ASP234
|
3.7
|
73.0
|
1.0
|
CB
|
A:ASP238
|
4.1
|
72.3
|
1.0
|
CB
|
A:ILE236
|
4.1
|
82.2
|
1.0
|
CA
|
A:ILE236
|
4.2
|
89.2
|
1.0
|
N
|
A:ILE236
|
4.2
|
86.7
|
1.0
|
N
|
A:ASP238
|
4.3
|
58.7
|
1.0
|
N
|
A:ASN232
|
4.4
|
75.0
|
1.0
|
N
|
A:PHE231
|
4.4
|
69.3
|
1.0
|
C
|
A:ASP237
|
4.5
|
65.8
|
1.0
|
CA
|
A:ASP230
|
4.5
|
61.4
|
1.0
|
OD2
|
A:ASP230
|
4.5
|
87.9
|
1.0
|
CA
|
A:ASP238
|
4.6
|
60.2
|
1.0
|
CB
|
A:ASN232
|
4.6
|
67.2
|
1.0
|
CB
|
A:ASP230
|
4.6
|
64.1
|
1.0
|
N
|
A:GLY258
|
4.6
|
61.8
|
1.0
|
OD2
|
A:ASP257
|
4.6
|
76.2
|
1.0
|
N
|
A:ASP237
|
4.7
|
86.3
|
1.0
|
OD1
|
A:ASP257
|
4.7
|
85.2
|
1.0
|
N
|
A:ASP234
|
4.7
|
73.2
|
1.0
|
CG2
|
A:ILE236
|
4.7
|
74.2
|
1.0
|
CB
|
A:ASP234
|
4.7
|
75.4
|
1.0
|
O
|
A:ASP237
|
4.8
|
62.7
|
1.0
|
CG
|
A:ASP257
|
4.8
|
74.6
|
1.0
|
CA
|
A:ASP237
|
5.0
|
73.3
|
1.0
|
CA
|
A:ASN232
|
5.0
|
66.9
|
1.0
|
|
Calcium binding site 4 out
of 4 in 5nem
Go back to
Calcium Binding Sites List in 5nem
Calcium binding site 4 out
of 4 in the Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A.
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Localised Reconstruction of Alpha V Beta 6 Bound to Foot and Mouth Disease Virus O Panasia - Pose A. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca621
b:63.3
occ:1.00
|
O
|
A:TYR290
|
2.3
|
94.4
|
1.0
|
OD1
|
A:ASN286
|
2.3
|
87.0
|
1.0
|
OD1
|
A:ASP292
|
2.4
|
77.5
|
1.0
|
OD1
|
A:ASP288
|
2.4
|
0.1
|
1.0
|
OD1
|
A:ASP284
|
2.4
|
75.3
|
1.0
|
OD2
|
A:ASP292
|
2.4
|
72.9
|
1.0
|
CG
|
A:ASP292
|
2.7
|
74.3
|
1.0
|
CG
|
A:ASP288
|
3.2
|
0.8
|
1.0
|
OD2
|
A:ASP288
|
3.3
|
0.7
|
1.0
|
C
|
A:TYR290
|
3.4
|
60.9
|
1.0
|
CG
|
A:ASN286
|
3.4
|
87.7
|
1.0
|
CG
|
A:ASP284
|
3.6
|
80.3
|
1.0
|
CB
|
A:TYR290
|
3.7
|
67.5
|
1.0
|
ND2
|
A:ASN286
|
3.8
|
94.9
|
1.0
|
CA
|
A:TYR290
|
3.9
|
63.6
|
1.0
|
N
|
A:TYR290
|
4.0
|
72.1
|
1.0
|
O
|
A:GLN320
|
4.2
|
61.9
|
1.0
|
CB
|
A:ASP292
|
4.2
|
53.4
|
1.0
|
CA
|
A:ASP284
|
4.3
|
58.3
|
1.0
|
N
|
A:GLN320
|
4.3
|
85.5
|
1.0
|
N
|
A:ILE285
|
4.4
|
78.4
|
1.0
|
CB
|
A:ASP284
|
4.4
|
72.2
|
1.0
|
N
|
A:ASN286
|
4.4
|
76.7
|
1.0
|
N
|
A:ASP292
|
4.5
|
54.6
|
1.0
|
N
|
A:ALA291
|
4.5
|
64.4
|
1.0
|
OD2
|
A:ASP284
|
4.6
|
64.5
|
1.0
|
CB
|
A:ASP288
|
4.6
|
94.5
|
1.0
|
C
|
A:ALA291
|
4.7
|
72.2
|
1.0
|
C
|
A:ASP284
|
4.7
|
93.6
|
1.0
|
CB
|
A:ASN286
|
4.7
|
75.7
|
1.0
|
CA
|
A:ASP292
|
4.8
|
65.9
|
1.0
|
N
|
A:ASP288
|
4.9
|
85.3
|
1.0
|
CB
|
A:GLN320
|
4.9
|
66.2
|
1.0
|
CG
|
A:LEU319
|
4.9
|
70.2
|
1.0
|
CA
|
A:ALA291
|
5.0
|
62.8
|
1.0
|
CA
|
A:GLN320
|
5.0
|
58.1
|
1.0
|
CA
|
A:ASN286
|
5.0
|
77.2
|
1.0
|
C
|
A:GLN320
|
5.0
|
87.3
|
1.0
|
|
Reference:
A.Kotecha,
Q.Wang,
X.Dong,
S.L.Ilca,
M.Ondiviela,
R.Zihe,
J.Seago,
B.Charleston,
E.E.Fry,
N.G.A.Abrescia,
T.A.Springer,
J.T.Huiskonen,
D.I.Stuart.
Rules of Engagement Between Alpha V Beta 6 Integrin and Foot-and-Mouth Disease Virus. Nat Commun V. 8 15408 2017.
ISSN: ESSN 2041-1723
PubMed: 28534487
DOI: 10.1038/NCOMMS15408
Page generated: Mon Jul 15 08:55:43 2024
|