Calcium in PDB 7tpd: Integrin ALAPHIIBBETA3 Complex with EF5154
Protein crystallography data
The structure of Integrin ALAPHIIBBETA3 Complex with EF5154, PDB code: 7tpd
was solved by
J.Zhu,
F.-Y.Lin,
J.Zhu,
T.A.Springer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.32 /
2.60
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
260.18,
144.34,
104.31,
90,
90,
90
|
|
R / Rfree (%)
|
16.5 /
19.4
|
Other elements in 7tpd:
The structure of Integrin ALAPHIIBBETA3 Complex with EF5154 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 Integrin ALAPHIIBBETA3 Complex with EF5154
(pdb code 7tpd). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the
Integrin ALAPHIIBBETA3 Complex with EF5154, PDB code: 7tpd:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 1 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca501
b:37.6
occ:1.00
|
O
|
A:THR250
|
2.4
|
48.2
|
1.0
|
|
O
|
A:ASP247
|
2.4
|
48.5
|
1.0
|
|
OD1
|
A:ASP245
|
2.4
|
38.8
|
1.0
|
|
OG1
|
A:THR250
|
2.4
|
44.3
|
1.0
|
|
OE2
|
A:GLU243
|
2.4
|
37.0
|
1.0
|
|
OE2
|
A:GLU252
|
2.5
|
37.5
|
1.0
|
|
OE1
|
A:GLU252
|
2.5
|
38.3
|
1.0
|
|
OE1
|
A:GLU243
|
2.5
|
38.6
|
1.0
|
|
CD
|
A:GLU243
|
2.8
|
37.7
|
1.0
|
|
CD
|
A:GLU252
|
2.8
|
35.7
|
1.0
|
|
CG
|
A:ASP245
|
3.1
|
43.3
|
1.0
|
|
C
|
A:THR250
|
3.2
|
47.4
|
1.0
|
|
OD2
|
A:ASP245
|
3.3
|
49.2
|
1.0
|
|
CB
|
A:THR250
|
3.5
|
46.0
|
1.0
|
|
C
|
A:ASP247
|
3.5
|
44.3
|
1.0
|
|
CA
|
A:THR250
|
3.7
|
52.3
|
1.0
|
|
N
|
A:THR250
|
3.9
|
61.1
|
1.0
|
|
N
|
A:ASP247
|
4.1
|
47.3
|
1.0
|
|
N
|
A:THR251
|
4.2
|
46.4
|
1.0
|
|
CA
|
A:ASP247
|
4.3
|
45.5
|
1.0
|
|
CG
|
A:GLU243
|
4.3
|
30.3
|
1.0
|
|
CG
|
A:GLU252
|
4.3
|
30.9
|
1.0
|
|
N
|
A:ASP245
|
4.3
|
34.5
|
1.0
|
|
CB
|
A:ASP245
|
4.4
|
38.4
|
1.0
|
|
CB
|
A:ASP247
|
4.5
|
47.8
|
1.0
|
|
N
|
A:LEU248
|
4.5
|
45.3
|
1.0
|
|
CA
|
A:THR251
|
4.5
|
41.5
|
1.0
|
|
N
|
A:PHE244
|
4.6
|
32.5
|
1.0
|
|
CA
|
A:LEU248
|
4.7
|
47.4
|
1.0
|
|
CA
|
A:GLU243
|
4.7
|
33.1
|
1.0
|
|
CA
|
A:ASP245
|
4.7
|
40.0
|
1.0
|
|
CG2
|
A:THR250
|
4.7
|
37.1
|
1.0
|
|
N
|
A:GLY246
|
4.7
|
47.1
|
1.0
|
|
N
|
A:GLU252
|
4.8
|
31.2
|
1.0
|
|
C
|
A:THR251
|
4.8
|
38.6
|
1.0
|
|
C
|
A:ASP245
|
4.9
|
45.4
|
1.0
|
|
C
|
A:LEU248
|
4.9
|
52.5
|
1.0
|
|
CB
|
A:GLU243
|
4.9
|
33.4
|
1.0
|
|
O
|
A:HOH677
|
5.0
|
44.2
|
1.0
|
|
Calcium binding site 2 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 2 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:29.4
occ:1.00
|
OD1
|
A:ASN299
|
2.3
|
33.6
|
1.0
|
|
O
|
A:ARG303
|
2.4
|
30.0
|
1.0
|
|
OD1
|
A:ASP305
|
2.4
|
26.9
|
1.0
|
|
O
|
A:HOH638
|
2.5
|
20.1
|
1.0
|
|
OD1
|
A:ASP297
|
2.5
|
27.6
|
1.0
|
|
OD2
|
A:ASP305
|
2.5
|
31.0
|
1.0
|
|
OD1
|
A:ASP301
|
2.6
|
38.7
|
1.0
|
|
CG
|
A:ASP305
|
2.8
|
31.2
|
1.0
|
|
CG
|
A:ASP301
|
3.4
|
38.3
|
1.0
|
|
CG
|
A:ASN299
|
3.4
|
35.2
|
1.0
|
|
OD2
|
A:ASP301
|
3.5
|
37.2
|
1.0
|
|
CG
|
A:ASP297
|
3.5
|
33.0
|
1.0
|
|
C
|
A:ARG303
|
3.6
|
28.2
|
1.0
|
|
ND2
|
A:ASN299
|
3.9
|
30.1
|
1.0
|
|
CA
|
A:ASP297
|
4.2
|
26.7
|
1.0
|
|
N
|
A:ARG303
|
4.2
|
34.5
|
1.0
|
|
CB
|
A:ASP297
|
4.2
|
28.3
|
1.0
|
|
CA
|
A:ARG303
|
4.2
|
33.6
|
1.0
|
|
CB
|
A:ASP305
|
4.2
|
25.5
|
1.0
|
|
CB
|
A:ARG303
|
4.3
|
31.3
|
1.0
|
|
N
|
A:ASN299
|
4.3
|
31.6
|
1.0
|
|
N
|
A:VAL298
|
4.4
|
25.0
|
1.0
|
|
OD2
|
A:ASP297
|
4.4
|
34.4
|
1.0
|
|
N
|
A:ASP305
|
4.4
|
25.1
|
1.0
|
|
C
|
A:HIS304
|
4.5
|
26.0
|
1.0
|
|
CD2
|
A:LEU332
|
4.6
|
27.0
|
1.0
|
|
CB
|
A:ASN299
|
4.6
|
28.7
|
1.0
|
|
N
|
A:HIS304
|
4.6
|
27.6
|
1.0
|
|
C
|
A:ASP297
|
4.6
|
28.3
|
1.0
|
|
O
|
A:HIS304
|
4.7
|
26.6
|
1.0
|
|
N
|
A:ASP301
|
4.7
|
30.9
|
1.0
|
|
CB
|
A:ASP301
|
4.7
|
32.6
|
1.0
|
|
CA
|
A:ASP305
|
4.8
|
29.0
|
1.0
|
|
N
|
A:GLN333
|
4.8
|
28.4
|
1.0
|
|
CA
|
A:ASN299
|
4.8
|
28.1
|
1.0
|
|
CA
|
A:HIS304
|
4.9
|
26.2
|
1.0
|
|
N
|
A:GLY300
|
5.0
|
30.1
|
1.0
|
|
C
|
A:ASN299
|
5.0
|
29.1
|
1.0
|
|
O
|
A:GLN333
|
5.0
|
32.0
|
1.0
|
|
Calcium binding site 3 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 3 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:24.7
occ:1.00
|
O
|
A:TYR371
|
2.3
|
27.9
|
1.0
|
|
OD1
|
A:ASP367
|
2.3
|
29.4
|
1.0
|
|
OD1
|
A:ASP369
|
2.4
|
31.6
|
1.0
|
|
OD1
|
A:ASP365
|
2.4
|
25.2
|
1.0
|
|
O
|
A:HOH666
|
2.4
|
19.0
|
1.0
|
|
OD2
|
A:ASP373
|
2.5
|
23.0
|
1.0
|
|
OD1
|
A:ASP373
|
2.5
|
28.2
|
1.0
|
|
CG
|
A:ASP373
|
2.8
|
23.9
|
1.0
|
|
CG
|
A:ASP369
|
3.4
|
30.9
|
1.0
|
|
CG
|
A:ASP367
|
3.5
|
25.6
|
1.0
|
|
C
|
A:TYR371
|
3.5
|
25.5
|
1.0
|
|
CG
|
A:ASP365
|
3.5
|
30.1
|
1.0
|
|
OD2
|
A:ASP369
|
3.9
|
31.7
|
1.0
|
|
OD2
|
A:ASP367
|
3.9
|
25.7
|
1.0
|
|
N
|
A:TYR371
|
4.1
|
30.5
|
1.0
|
|
N
|
A:LEU366
|
4.2
|
25.3
|
1.0
|
|
CA
|
A:ASP365
|
4.2
|
24.8
|
1.0
|
|
CA
|
A:TYR371
|
4.2
|
26.7
|
1.0
|
|
N
|
A:ASP367
|
4.2
|
24.0
|
1.0
|
|
OD2
|
A:ASP365
|
4.3
|
29.3
|
1.0
|
|
CB
|
A:TYR371
|
4.3
|
28.4
|
1.0
|
|
CB
|
A:ASP373
|
4.3
|
23.3
|
1.0
|
|
CB
|
A:ASP365
|
4.4
|
25.0
|
1.0
|
|
C
|
A:ASP365
|
4.4
|
24.7
|
1.0
|
|
N
|
A:ASP369
|
4.5
|
27.5
|
1.0
|
|
CD2
|
A:LEU393
|
4.5
|
22.9
|
1.0
|
|
C
|
A:ASN372
|
4.5
|
23.3
|
1.0
|
|
N
|
A:ASN372
|
4.5
|
25.0
|
1.0
|
|
CB
|
A:ASP369
|
4.5
|
28.1
|
1.0
|
|
N
|
A:GLY394
|
4.5
|
25.0
|
1.0
|
|
N
|
A:ASP373
|
4.7
|
24.4
|
1.0
|
|
CA
|
A:ASN372
|
4.7
|
24.0
|
1.0
|
|
N
|
A:ARG368
|
4.7
|
26.7
|
1.0
|
|
CB
|
A:ASP367
|
4.7
|
24.9
|
1.0
|
|
O
|
A:ASN372
|
4.7
|
24.0
|
1.0
|
|
O
|
A:GLY394
|
4.8
|
30.1
|
1.0
|
|
CB
|
A:LEU393
|
4.8
|
23.8
|
1.0
|
|
CA
|
A:ASP367
|
4.9
|
25.7
|
1.0
|
|
O
|
A:HOH696
|
4.9
|
34.2
|
1.0
|
|
CA
|
A:ASP369
|
5.0
|
28.4
|
1.0
|
|
N
|
A:GLY370
|
5.0
|
28.4
|
1.0
|
|
Calcium binding site 4 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 4 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca504
b:25.0
occ:1.00
|
OD1
|
A:ASP428
|
2.3
|
26.0
|
1.0
|
|
OD1
|
A:ASN430
|
2.4
|
27.6
|
1.0
|
|
O
|
A:TYR432
|
2.4
|
24.8
|
1.0
|
|
OD1
|
A:ASP426
|
2.4
|
32.3
|
1.0
|
|
OD1
|
A:ASP434
|
2.4
|
22.0
|
1.0
|
|
OD2
|
A:ASP434
|
2.4
|
24.3
|
1.0
|
|
O
|
A:HOH648
|
2.5
|
21.2
|
1.0
|
|
CG
|
A:ASP434
|
2.7
|
21.9
|
1.0
|
|
CG
|
A:ASN430
|
3.3
|
27.9
|
1.0
|
|
CG
|
A:ASP428
|
3.4
|
25.8
|
1.0
|
|
CG
|
A:ASP426
|
3.4
|
29.9
|
1.0
|
|
C
|
A:TYR432
|
3.5
|
23.4
|
1.0
|
|
OD2
|
A:ASP428
|
3.7
|
24.5
|
1.0
|
|
ND2
|
A:ASN430
|
4.0
|
29.0
|
1.0
|
|
N
|
A:TYR432
|
4.1
|
25.0
|
1.0
|
|
CA
|
A:ASP426
|
4.1
|
23.2
|
1.0
|
|
CA
|
A:TYR432
|
4.2
|
24.2
|
1.0
|
|
O
|
A:ALA450
|
4.2
|
26.7
|
1.0
|
|
CB
|
A:ASP426
|
4.2
|
24.1
|
1.0
|
|
CB
|
A:ASP434
|
4.2
|
21.0
|
1.0
|
|
OD2
|
A:ASP426
|
4.2
|
32.7
|
1.0
|
|
N
|
A:ILE427
|
4.3
|
24.2
|
1.0
|
|
N
|
A:ASP428
|
4.3
|
29.2
|
1.0
|
|
N
|
A:ASN430
|
4.3
|
27.5
|
1.0
|
|
CB
|
A:TYR432
|
4.4
|
24.1
|
1.0
|
|
CB
|
A:ASN430
|
4.4
|
26.1
|
1.0
|
|
C
|
A:ASP426
|
4.5
|
26.9
|
1.0
|
|
N
|
A:ALA450
|
4.5
|
21.9
|
1.0
|
|
N
|
A:PRO433
|
4.6
|
24.9
|
1.0
|
|
C
|
A:PRO433
|
4.6
|
23.9
|
1.0
|
|
CB
|
A:ASP428
|
4.6
|
26.2
|
1.0
|
|
N
|
A:ASP434
|
4.6
|
23.6
|
1.0
|
|
N
|
A:ASP429
|
4.7
|
33.8
|
1.0
|
|
CA
|
A:PRO433
|
4.8
|
22.3
|
1.0
|
|
CA
|
A:ASN430
|
4.8
|
26.6
|
1.0
|
|
CA
|
A:ASP428
|
4.9
|
27.3
|
1.0
|
|
CA
|
A:ASP434
|
4.9
|
20.9
|
1.0
|
|
N
|
A:GLY431
|
4.9
|
26.5
|
1.0
|
|
C
|
A:ASP428
|
5.0
|
30.4
|
1.0
|
|
CB
|
A:ALA450
|
5.0
|
22.2
|
1.0
|
|
Calcium binding site 5 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 5 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2002
b:71.0
occ:1.00
|
OD1
|
B:ASP126
|
2.3
|
37.9
|
0.5
|
|
O
|
B:HOH2146
|
2.5
|
35.5
|
1.0
|
|
OD1
|
B:ASP127
|
2.6
|
42.6
|
1.0
|
|
O
|
B:MET335
|
2.6
|
44.1
|
1.0
|
|
O
|
B:SER123
|
3.0
|
41.6
|
1.0
|
|
CG
|
B:ASP126
|
3.1
|
36.0
|
0.5
|
|
O
|
B:HOH2113
|
3.2
|
55.0
|
1.0
|
|
OD2
|
B:ASP126
|
3.3
|
36.5
|
0.5
|
|
CG
|
B:ASP127
|
3.7
|
35.7
|
1.0
|
|
C
|
B:MET335
|
3.9
|
45.7
|
1.0
|
|
OD2
|
B:ASP127
|
4.2
|
33.7
|
1.0
|
|
C
|
B:SER123
|
4.2
|
37.6
|
1.0
|
|
O
|
B:HOH2115
|
4.3
|
30.6
|
1.0
|
|
CA
|
B:MET124
|
4.4
|
34.1
|
1.0
|
|
CB
|
B:ASP126
|
4.4
|
37.6
|
0.5
|
|
N
|
B:ASP127
|
4.5
|
35.4
|
1.0
|
|
CA
|
B:ASP336
|
4.5
|
36.6
|
1.0
|
|
CB
|
B:ASP126
|
4.5
|
38.0
|
0.5
|
|
OD2
|
B:ASP251
|
4.5
|
34.7
|
1.0
|
|
N
|
B:ASP336
|
4.6
|
41.5
|
1.0
|
|
N
|
B:ASP126
|
4.7
|
37.6
|
0.5
|
|
N
|
B:ASP126
|
4.7
|
37.6
|
0.5
|
|
C
|
B:MET124
|
4.8
|
34.4
|
1.0
|
|
OD2
|
B:ASP126
|
4.8
|
36.1
|
0.5
|
|
N
|
B:MET124
|
4.8
|
38.3
|
1.0
|
|
CA
|
B:MET335
|
4.9
|
43.9
|
1.0
|
|
OG
|
B:SER123
|
4.9
|
36.1
|
0.3
|
|
CB
|
B:ASP127
|
4.9
|
33.2
|
1.0
|
|
CA
|
B:ASP126
|
4.9
|
38.1
|
0.5
|
|
C
|
B:ASP126
|
5.0
|
38.6
|
0.5
|
|
N
|
B:LYS125
|
5.0
|
40.2
|
1.0
|
|
CG
|
B:ASP126
|
5.0
|
38.5
|
0.5
|
|
Calcium binding site 6 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 6 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2003
b:19.4
occ:1.00
|
O
|
B:PRO219
|
2.2
|
27.9
|
1.0
|
|
OD1
|
B:ASN215
|
2.3
|
32.8
|
1.0
|
|
OD1
|
B:ASP217
|
2.3
|
25.0
|
1.0
|
|
OD2
|
B:ASP158
|
2.4
|
27.4
|
1.0
|
|
O
|
B:ASP217
|
2.4
|
26.9
|
1.0
|
|
OE1
|
B:GLU220
|
2.5
|
24.8
|
1.0
|
|
CG
|
B:ASP217
|
3.3
|
25.4
|
1.0
|
|
C
|
B:PRO219
|
3.3
|
22.6
|
1.0
|
|
C
|
B:ASP217
|
3.4
|
22.7
|
1.0
|
|
CG
|
B:ASN215
|
3.4
|
20.9
|
1.0
|
|
CG
|
B:ASP158
|
3.5
|
21.6
|
1.0
|
|
CD
|
B:GLU220
|
3.5
|
27.0
|
1.0
|
|
CA
|
B:GLU220
|
3.8
|
26.2
|
1.0
|
|
ND2
|
B:ASN215
|
3.8
|
21.1
|
1.0
|
|
OD2
|
B:ASP217
|
3.8
|
23.5
|
1.0
|
|
CB
|
B:ASP158
|
3.9
|
19.5
|
1.0
|
|
N
|
B:GLU220
|
3.9
|
25.7
|
1.0
|
|
CA
|
B:ASP217
|
4.1
|
26.6
|
1.0
|
|
N
|
B:ASP217
|
4.1
|
22.1
|
1.0
|
|
NE2
|
B:HIS255
|
4.2
|
18.1
|
1.0
|
|
C
|
B:ALA218
|
4.2
|
30.4
|
1.0
|
|
CB
|
B:ASP217
|
4.2
|
21.1
|
1.0
|
|
OE2
|
B:GLU220
|
4.3
|
28.0
|
1.0
|
|
N
|
B:PRO219
|
4.3
|
24.2
|
1.0
|
|
N
|
B:ALA218
|
4.4
|
27.2
|
1.0
|
|
CA
|
B:PRO219
|
4.4
|
22.4
|
1.0
|
|
O
|
B:ALA218
|
4.4
|
31.6
|
1.0
|
|
CD2
|
B:HIS255
|
4.4
|
18.2
|
1.0
|
|
CG
|
B:GLU220
|
4.4
|
21.2
|
1.0
|
|
CB
|
B:GLU220
|
4.5
|
25.6
|
1.0
|
|
OD1
|
B:ASP158
|
4.6
|
22.4
|
1.0
|
|
CB
|
B:ASN215
|
4.7
|
25.2
|
1.0
|
|
CA
|
B:ALA218
|
4.8
|
25.8
|
1.0
|
|
C
|
B:GLU220
|
4.8
|
24.6
|
1.0
|
|
CD
|
B:PRO219
|
4.9
|
20.8
|
1.0
|
|
CD1
|
B:TYR164
|
4.9
|
21.5
|
1.0
|
|
CB
|
B:TYR164
|
4.9
|
24.1
|
1.0
|
|
Calcium binding site 7 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 7 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca501
b:70.4
occ:1.00
|
O
|
C:ASP247
|
2.3
|
78.8
|
1.0
|
|
OG1
|
C:THR250
|
2.3
|
79.9
|
1.0
|
|
OD1
|
C:ASP245
|
2.4
|
63.8
|
1.0
|
|
OE1
|
C:GLU252
|
2.4
|
61.4
|
1.0
|
|
OE2
|
C:GLU243
|
2.5
|
69.2
|
1.0
|
|
OE2
|
C:GLU252
|
2.5
|
64.0
|
1.0
|
|
O
|
C:THR250
|
2.5
|
71.9
|
1.0
|
|
OE1
|
C:GLU243
|
2.5
|
62.1
|
1.0
|
|
CD
|
C:GLU252
|
2.8
|
60.9
|
1.0
|
|
CD
|
C:GLU243
|
2.8
|
63.8
|
1.0
|
|
C
|
C:THR250
|
3.0
|
73.3
|
1.0
|
|
CG
|
C:ASP245
|
3.3
|
67.4
|
1.0
|
|
CB
|
C:THR250
|
3.4
|
77.5
|
1.0
|
|
C
|
C:ASP247
|
3.5
|
81.5
|
1.0
|
|
CA
|
C:THR250
|
3.6
|
77.1
|
1.0
|
|
OD2
|
C:ASP245
|
3.7
|
67.0
|
1.0
|
|
N
|
C:THR251
|
3.8
|
72.7
|
1.0
|
|
N
|
C:THR250
|
3.9
|
79.7
|
1.0
|
|
CA
|
C:THR251
|
4.2
|
68.3
|
1.0
|
|
CA
|
C:ASP247
|
4.2
|
87.8
|
1.0
|
|
N
|
C:ASP247
|
4.3
|
89.5
|
1.0
|
|
CG
|
C:GLU252
|
4.3
|
57.8
|
1.0
|
|
CG
|
C:GLU243
|
4.3
|
63.2
|
1.0
|
|
CB
|
C:ASP247
|
4.3
|
88.9
|
1.0
|
|
N
|
C:LEU248
|
4.5
|
78.7
|
1.0
|
|
N
|
C:ASP245
|
4.5
|
69.1
|
1.0
|
|
CB
|
C:ASP245
|
4.6
|
68.4
|
1.0
|
|
C
|
C:THR251
|
4.6
|
65.0
|
1.0
|
|
N
|
C:GLU252
|
4.6
|
59.9
|
1.0
|
|
CA
|
C:LEU248
|
4.6
|
74.4
|
1.0
|
|
CG2
|
C:THR250
|
4.7
|
79.4
|
1.0
|
|
N
|
C:PHE244
|
4.8
|
64.6
|
1.0
|
|
CA
|
C:GLU243
|
4.8
|
59.1
|
1.0
|
|
C
|
C:LEU248
|
4.8
|
73.2
|
1.0
|
|
CA
|
C:ASP245
|
4.9
|
71.6
|
1.0
|
|
N
|
C:GLY246
|
4.9
|
84.4
|
1.0
|
|
CB
|
C:GLU243
|
5.0
|
58.8
|
1.0
|
|
Calcium binding site 8 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 8 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca502
b:54.3
occ:1.00
|
OD1
|
C:ASN299
|
2.3
|
61.0
|
1.0
|
|
O
|
C:ARG303
|
2.3
|
52.6
|
1.0
|
|
O
|
C:HOH610
|
2.4
|
56.3
|
1.0
|
|
OD1
|
C:ASP301
|
2.4
|
59.9
|
1.0
|
|
OD1
|
C:ASP305
|
2.4
|
52.6
|
1.0
|
|
OD1
|
C:ASP297
|
2.5
|
51.6
|
1.0
|
|
OD2
|
C:ASP305
|
2.5
|
57.4
|
1.0
|
|
CG
|
C:ASP305
|
2.8
|
52.3
|
1.0
|
|
CG
|
C:ASP301
|
3.2
|
65.1
|
1.0
|
|
OD2
|
C:ASP301
|
3.3
|
68.1
|
1.0
|
|
CG
|
C:ASN299
|
3.4
|
57.1
|
1.0
|
|
C
|
C:ARG303
|
3.5
|
55.6
|
1.0
|
|
CG
|
C:ASP297
|
3.6
|
53.3
|
1.0
|
|
ND2
|
C:ASN299
|
3.8
|
55.1
|
1.0
|
|
N
|
C:ARG303
|
4.1
|
58.8
|
1.0
|
|
CA
|
C:ARG303
|
4.1
|
59.8
|
1.0
|
|
CB
|
C:ARG303
|
4.1
|
63.1
|
1.0
|
|
CB
|
C:ASP305
|
4.3
|
45.5
|
1.0
|
|
CA
|
C:ASP297
|
4.3
|
54.0
|
1.0
|
|
CB
|
C:ASP297
|
4.3
|
52.5
|
1.0
|
|
OD2
|
C:ASP297
|
4.4
|
53.7
|
1.0
|
|
C
|
C:HIS304
|
4.4
|
53.7
|
1.0
|
|
N
|
C:ASN299
|
4.4
|
51.7
|
1.0
|
|
N
|
C:ASP305
|
4.5
|
50.4
|
1.0
|
|
O
|
C:HIS304
|
4.5
|
55.5
|
1.0
|
|
N
|
C:VAL298
|
4.5
|
53.3
|
1.0
|
|
CD2
|
C:LEU332
|
4.6
|
47.2
|
1.0
|
|
N
|
C:HIS304
|
4.6
|
56.2
|
1.0
|
|
CB
|
C:ASP301
|
4.6
|
61.4
|
1.0
|
|
CB
|
C:ASN299
|
4.7
|
54.2
|
1.0
|
|
N
|
C:ASP301
|
4.7
|
61.4
|
1.0
|
|
N
|
C:GLN333
|
4.7
|
54.5
|
1.0
|
|
O
|
C:GLN333
|
4.8
|
64.7
|
1.0
|
|
C
|
C:ASP297
|
4.8
|
52.1
|
1.0
|
|
CA
|
C:ASP305
|
4.8
|
44.7
|
1.0
|
|
CA
|
C:HIS304
|
4.9
|
50.7
|
1.0
|
|
CA
|
C:ASN299
|
5.0
|
54.5
|
1.0
|
|
Calcium binding site 9 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 9 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca503
b:44.9
occ:1.00
|
OD1
|
C:ASP367
|
2.3
|
44.9
|
1.0
|
|
O
|
C:TYR371
|
2.3
|
55.8
|
1.0
|
|
O
|
C:HOH718
|
2.4
|
37.1
|
1.0
|
|
OD1
|
C:ASP369
|
2.4
|
51.0
|
1.0
|
|
OD2
|
C:ASP373
|
2.5
|
40.9
|
1.0
|
|
OD1
|
C:ASP365
|
2.5
|
51.5
|
1.0
|
|
OD1
|
C:ASP373
|
2.5
|
40.3
|
1.0
|
|
CG
|
C:ASP373
|
2.9
|
41.1
|
1.0
|
|
CG
|
C:ASP367
|
3.4
|
47.4
|
1.0
|
|
C
|
C:TYR371
|
3.5
|
54.4
|
1.0
|
|
CG
|
C:ASP369
|
3.5
|
56.1
|
1.0
|
|
CG
|
C:ASP365
|
3.5
|
53.3
|
1.0
|
|
OD2
|
C:ASP367
|
3.8
|
50.1
|
1.0
|
|
OD2
|
C:ASP369
|
4.0
|
58.2
|
1.0
|
|
N
|
C:LEU366
|
4.1
|
51.9
|
1.0
|
|
N
|
C:TYR371
|
4.1
|
58.5
|
1.0
|
|
N
|
C:ASP367
|
4.2
|
52.3
|
1.0
|
|
CA
|
C:TYR371
|
4.2
|
54.3
|
1.0
|
|
CA
|
C:ASP365
|
4.2
|
48.5
|
1.0
|
|
OD2
|
C:ASP365
|
4.2
|
54.5
|
1.0
|
|
CB
|
C:TYR371
|
4.3
|
54.0
|
1.0
|
|
CB
|
C:ASP373
|
4.4
|
37.1
|
1.0
|
|
CB
|
C:ASP365
|
4.5
|
51.0
|
1.0
|
|
C
|
C:ASN372
|
4.5
|
44.8
|
1.0
|
|
C
|
C:ASP365
|
4.5
|
52.0
|
1.0
|
|
N
|
C:ASN372
|
4.5
|
50.2
|
1.0
|
|
N
|
C:ASP369
|
4.5
|
55.4
|
1.0
|
|
CD2
|
C:LEU393
|
4.5
|
37.5
|
1.0
|
|
N
|
C:ARG368
|
4.6
|
57.2
|
1.0
|
|
CA
|
C:ASN372
|
4.7
|
46.3
|
1.0
|
|
O
|
C:ASN372
|
4.7
|
45.4
|
1.0
|
|
CB
|
C:ASP367
|
4.7
|
48.9
|
1.0
|
|
CB
|
C:ASP369
|
4.7
|
51.0
|
1.0
|
|
N
|
C:ASP373
|
4.7
|
41.0
|
1.0
|
|
N
|
C:GLY394
|
4.7
|
42.0
|
1.0
|
|
CA
|
C:ASP367
|
4.8
|
51.4
|
1.0
|
|
CB
|
C:LEU393
|
4.9
|
39.0
|
1.0
|
|
C
|
C:ASP367
|
5.0
|
56.2
|
1.0
|
|
O
|
C:GLY394
|
5.0
|
49.0
|
1.0
|
|
Calcium binding site 10 out
of 12 in 7tpd
Go back to
Calcium Binding Sites List in 7tpd
Calcium binding site 10 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with EF5154
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Integrin ALAPHIIBBETA3 Complex with EF5154 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca504
b:51.0
occ:1.00
|
OD1
|
C:ASN430
|
2.3
|
56.9
|
1.0
|
|
OD1
|
C:ASP428
|
2.3
|
56.5
|
1.0
|
|
O
|
C:TYR432
|
2.4
|
47.4
|
1.0
|
|
OD1
|
C:ASP434
|
2.4
|
43.1
|
1.0
|
|
OD1
|
C:ASP426
|
2.4
|
50.9
|
1.0
|
|
O
|
C:HOH667
|
2.4
|
36.4
|
1.0
|
|
OD2
|
C:ASP434
|
2.5
|
46.6
|
1.0
|
|
CG
|
C:ASP434
|
2.8
|
45.0
|
1.0
|
|
CG
|
C:ASN430
|
3.3
|
53.5
|
1.0
|
|
CG
|
C:ASP428
|
3.4
|
58.1
|
1.0
|
|
CG
|
C:ASP426
|
3.4
|
51.2
|
1.0
|
|
C
|
C:TYR432
|
3.5
|
47.0
|
1.0
|
|
OD2
|
C:ASP428
|
3.9
|
59.0
|
1.0
|
|
ND2
|
C:ASN430
|
4.0
|
51.6
|
1.0
|
|
CA
|
C:ASP426
|
4.0
|
46.3
|
1.0
|
|
N
|
C:TYR432
|
4.1
|
51.5
|
1.0
|
|
CB
|
C:ASP426
|
4.2
|
46.1
|
1.0
|
|
CA
|
C:TYR432
|
4.2
|
47.3
|
1.0
|
|
O
|
C:ALA450
|
4.2
|
52.5
|
1.0
|
|
CB
|
C:ASP434
|
4.2
|
39.9
|
1.0
|
|
N
|
C:ASP428
|
4.3
|
52.7
|
1.0
|
|
OD2
|
C:ASP426
|
4.3
|
56.0
|
1.0
|
|
N
|
C:ILE427
|
4.3
|
50.0
|
1.0
|
|
CB
|
C:ASN430
|
4.3
|
49.3
|
1.0
|
|
CB
|
C:TYR432
|
4.4
|
49.8
|
1.0
|
|
N
|
C:ASN430
|
4.4
|
53.8
|
1.0
|
|
C
|
C:ASP426
|
4.4
|
52.4
|
1.0
|
|
N
|
C:ALA450
|
4.5
|
43.9
|
1.0
|
|
N
|
C:ASP434
|
4.5
|
40.9
|
1.0
|
|
C
|
C:PRO433
|
4.5
|
44.8
|
1.0
|
|
N
|
C:PRO433
|
4.5
|
44.2
|
1.0
|
|
CB
|
C:ASP428
|
4.6
|
55.1
|
1.0
|
|
CA
|
C:PRO433
|
4.7
|
46.3
|
1.0
|
|
N
|
C:ASP429
|
4.8
|
58.6
|
1.0
|
|
CA
|
C:ASN430
|
4.8
|
52.2
|
1.0
|
|
CA
|
C:ASP428
|
4.8
|
54.1
|
1.0
|
|
CA
|
C:ASP434
|
4.8
|
38.9
|
1.0
|
|
C
|
C:ASP428
|
4.9
|
57.9
|
1.0
|
|
CG
|
C:ARG449
|
4.9
|
42.0
|
1.0
|
|
O
|
C:PRO433
|
4.9
|
47.4
|
1.0
|
|
N
|
C:GLY431
|
5.0
|
51.7
|
1.0
|
|
Reference:
J.Zhu,
F.-Y.Lin,
J.Zhu,
T.A.Springer.
Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with EF5154 To Be Published.
Page generated: Thu Jul 10 01:25:30 2025
|
