Calcium in PDB 7td8: Integrin ALAPHIIBBETA3 Complex with Tirofiban
Protein crystallography data
The structure of Integrin ALAPHIIBBETA3 Complex with Tirofiban, PDB code: 7td8
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)
|
48.31 /
2.60
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
256.56,
144.37,
104.29,
90,
90,
90
|
R / Rfree (%)
|
18.2 /
21
|
Other elements in 7td8:
The structure of Integrin ALAPHIIBBETA3 Complex with Tirofiban 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 Tirofiban
(pdb code 7td8). 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 Tirofiban, PDB code: 7td8:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 1 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca501
b:54.9
occ:1.00
|
OD1
|
A:ASP245
|
2.3
|
64.3
|
1.0
|
OE2
|
A:GLU252
|
2.3
|
47.5
|
1.0
|
O
|
A:ASP247
|
2.3
|
63.0
|
1.0
|
OE2
|
A:GLU243
|
2.4
|
55.8
|
1.0
|
O
|
A:THR250
|
2.4
|
54.8
|
1.0
|
OG1
|
A:THR250
|
2.4
|
68.3
|
1.0
|
OE1
|
A:GLU252
|
2.5
|
47.9
|
1.0
|
OE1
|
A:GLU243
|
2.5
|
54.0
|
1.0
|
CD
|
A:GLU252
|
2.7
|
47.1
|
1.0
|
CD
|
A:GLU243
|
2.7
|
56.4
|
1.0
|
CG
|
A:ASP245
|
3.1
|
60.9
|
1.0
|
C
|
A:THR250
|
3.2
|
56.8
|
1.0
|
OD2
|
A:ASP245
|
3.4
|
63.1
|
1.0
|
C
|
A:ASP247
|
3.5
|
61.5
|
1.0
|
CB
|
A:THR250
|
3.5
|
65.4
|
1.0
|
CA
|
A:THR250
|
3.7
|
67.2
|
1.0
|
N
|
A:THR250
|
3.9
|
73.3
|
1.0
|
N
|
A:ASP247
|
4.0
|
63.8
|
1.0
|
CA
|
A:ASP247
|
4.1
|
64.7
|
1.0
|
N
|
A:THR251
|
4.1
|
55.0
|
1.0
|
CG
|
A:GLU252
|
4.2
|
46.4
|
1.0
|
CG
|
A:GLU243
|
4.2
|
58.0
|
1.0
|
CB
|
A:ASP247
|
4.3
|
70.4
|
1.0
|
CB
|
A:ASP245
|
4.3
|
59.2
|
1.0
|
N
|
A:ASP245
|
4.4
|
52.9
|
1.0
|
CA
|
A:THR251
|
4.5
|
54.5
|
1.0
|
N
|
A:LEU248
|
4.5
|
63.9
|
1.0
|
O
|
A:HOH678
|
4.6
|
49.2
|
1.0
|
N
|
A:GLU252
|
4.7
|
49.3
|
1.0
|
CA
|
A:GLU243
|
4.7
|
50.7
|
1.0
|
CA
|
A:ASP245
|
4.7
|
60.0
|
1.0
|
N
|
A:PHE244
|
4.7
|
50.8
|
1.0
|
C
|
A:THR251
|
4.8
|
55.5
|
1.0
|
CA
|
A:LEU248
|
4.8
|
67.5
|
1.0
|
CG2
|
A:THR250
|
4.8
|
63.3
|
1.0
|
N
|
A:GLY246
|
4.8
|
63.1
|
1.0
|
C
|
A:ASP245
|
4.9
|
60.6
|
1.0
|
CB
|
A:GLU243
|
4.9
|
50.9
|
1.0
|
C
|
A:LEU248
|
4.9
|
71.6
|
1.0
|
CG
|
A:ASP247
|
4.9
|
76.8
|
1.0
|
|
Calcium binding site 2 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 2 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:43.0
occ:1.00
|
OD1
|
A:ASN299
|
2.3
|
46.5
|
1.0
|
O
|
A:ARG303
|
2.4
|
48.9
|
1.0
|
OD1
|
A:ASP305
|
2.4
|
42.3
|
1.0
|
OD1
|
A:ASP297
|
2.4
|
48.2
|
1.0
|
OD1
|
A:ASP301
|
2.5
|
54.0
|
1.0
|
O
|
A:HOH607
|
2.5
|
43.1
|
1.0
|
OD2
|
A:ASP305
|
2.5
|
45.7
|
1.0
|
CG
|
A:ASP305
|
2.8
|
42.4
|
1.0
|
CG
|
A:ASP301
|
3.3
|
57.7
|
1.0
|
CG
|
A:ASN299
|
3.4
|
45.4
|
1.0
|
OD2
|
A:ASP301
|
3.4
|
59.2
|
1.0
|
C
|
A:ARG303
|
3.5
|
49.0
|
1.0
|
CG
|
A:ASP297
|
3.6
|
47.3
|
1.0
|
ND2
|
A:ASN299
|
3.9
|
44.4
|
1.0
|
CB
|
A:ARG303
|
4.1
|
48.3
|
1.0
|
CA
|
A:ARG303
|
4.1
|
50.5
|
1.0
|
N
|
A:ARG303
|
4.1
|
47.8
|
1.0
|
CB
|
A:ASP297
|
4.2
|
43.0
|
1.0
|
CA
|
A:ASP297
|
4.2
|
47.7
|
1.0
|
CB
|
A:ASP305
|
4.2
|
38.6
|
1.0
|
N
|
A:ASN299
|
4.3
|
41.1
|
1.0
|
N
|
A:VAL298
|
4.4
|
43.9
|
1.0
|
N
|
A:ASP305
|
4.5
|
38.9
|
1.0
|
C
|
A:HIS304
|
4.5
|
44.8
|
1.0
|
OD2
|
A:ASP297
|
4.5
|
50.1
|
1.0
|
CD2
|
A:LEU332
|
4.6
|
40.8
|
1.0
|
N
|
A:HIS304
|
4.6
|
45.0
|
1.0
|
N
|
A:ASP301
|
4.6
|
47.9
|
1.0
|
CB
|
A:ASN299
|
4.6
|
45.2
|
1.0
|
C
|
A:ASP297
|
4.7
|
49.8
|
1.0
|
CB
|
A:ASP301
|
4.7
|
54.8
|
1.0
|
O
|
A:HIS304
|
4.7
|
40.5
|
1.0
|
N
|
A:GLN333
|
4.8
|
42.3
|
1.0
|
CA
|
A:ASP305
|
4.8
|
38.6
|
1.0
|
CA
|
A:ASN299
|
4.9
|
43.9
|
1.0
|
CA
|
A:HIS304
|
4.9
|
41.5
|
1.0
|
N
|
A:GLY300
|
4.9
|
45.6
|
1.0
|
C
|
A:ASN299
|
5.0
|
45.8
|
1.0
|
|
Calcium binding site 3 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 3 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:39.4
occ:1.00
|
O
|
A:TYR371
|
2.3
|
45.8
|
1.0
|
OD1
|
A:ASP367
|
2.3
|
49.2
|
1.0
|
OD1
|
A:ASP369
|
2.4
|
41.4
|
1.0
|
OD1
|
A:ASP365
|
2.4
|
43.8
|
1.0
|
O
|
A:HOH649
|
2.5
|
38.0
|
1.0
|
OD2
|
A:ASP373
|
2.5
|
44.3
|
1.0
|
OD1
|
A:ASP373
|
2.5
|
48.8
|
1.0
|
CG
|
A:ASP373
|
2.9
|
45.3
|
1.0
|
CG
|
A:ASP369
|
3.3
|
49.9
|
1.0
|
C
|
A:TYR371
|
3.5
|
43.4
|
1.0
|
CG
|
A:ASP367
|
3.5
|
47.0
|
1.0
|
CG
|
A:ASP365
|
3.6
|
44.1
|
1.0
|
OD2
|
A:ASP369
|
3.7
|
54.2
|
1.0
|
OD2
|
A:ASP367
|
4.0
|
46.7
|
1.0
|
N
|
A:TYR371
|
4.1
|
47.5
|
1.0
|
CA
|
A:TYR371
|
4.1
|
47.2
|
1.0
|
CB
|
A:TYR371
|
4.2
|
48.1
|
1.0
|
N
|
A:LEU366
|
4.2
|
40.3
|
1.0
|
N
|
A:ASP367
|
4.3
|
43.6
|
1.0
|
CA
|
A:ASP365
|
4.3
|
40.1
|
1.0
|
OD2
|
A:ASP365
|
4.3
|
42.4
|
1.0
|
N
|
A:ASP369
|
4.4
|
42.4
|
1.0
|
CB
|
A:ASP373
|
4.4
|
38.6
|
1.0
|
CB
|
A:ASP369
|
4.4
|
46.2
|
1.0
|
CB
|
A:ASP365
|
4.5
|
39.7
|
1.0
|
N
|
A:ASN372
|
4.5
|
40.2
|
1.0
|
C
|
A:ASN372
|
4.6
|
40.0
|
1.0
|
C
|
A:ASP365
|
4.6
|
41.2
|
1.0
|
CD2
|
A:LEU393
|
4.6
|
36.9
|
1.0
|
N
|
A:GLY394
|
4.6
|
46.3
|
1.0
|
N
|
A:ARG368
|
4.6
|
40.6
|
1.0
|
CB
|
A:ASP367
|
4.7
|
42.4
|
1.0
|
O
|
A:ASN372
|
4.7
|
39.5
|
1.0
|
CA
|
A:ASN372
|
4.7
|
38.2
|
1.0
|
N
|
A:ASP373
|
4.8
|
38.5
|
1.0
|
O
|
A:GLY394
|
4.8
|
45.9
|
1.0
|
CB
|
A:LEU393
|
4.8
|
38.0
|
1.0
|
CA
|
A:ASP367
|
4.9
|
42.6
|
1.0
|
CA
|
A:ASP369
|
4.9
|
45.1
|
1.0
|
O
|
A:HOH751
|
5.0
|
41.6
|
1.0
|
C
|
A:ASP367
|
5.0
|
44.8
|
1.0
|
|
Calcium binding site 4 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 4 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca504
b:37.8
occ:1.00
|
OD1
|
A:ASN430
|
2.3
|
45.5
|
1.0
|
OD1
|
A:ASP428
|
2.3
|
41.7
|
1.0
|
OD1
|
A:ASP426
|
2.4
|
50.2
|
1.0
|
OD1
|
A:ASP434
|
2.4
|
39.0
|
1.0
|
O
|
A:TYR432
|
2.4
|
43.4
|
1.0
|
OD2
|
A:ASP434
|
2.4
|
48.1
|
1.0
|
O
|
A:HOH628
|
2.4
|
31.1
|
1.0
|
CG
|
A:ASP434
|
2.7
|
44.4
|
1.0
|
CG
|
A:ASN430
|
3.2
|
47.0
|
1.0
|
CG
|
A:ASP428
|
3.4
|
40.4
|
1.0
|
CG
|
A:ASP426
|
3.4
|
44.1
|
1.0
|
C
|
A:TYR432
|
3.5
|
39.4
|
1.0
|
OD2
|
A:ASP428
|
3.8
|
38.9
|
1.0
|
ND2
|
A:ASN430
|
3.8
|
44.2
|
1.0
|
N
|
A:TYR432
|
4.1
|
39.9
|
1.0
|
CA
|
A:TYR432
|
4.1
|
42.3
|
1.0
|
O
|
A:ALA450
|
4.2
|
38.0
|
1.0
|
CA
|
A:ASP426
|
4.2
|
37.5
|
1.0
|
CB
|
A:TYR432
|
4.2
|
38.9
|
1.0
|
CB
|
A:ASN430
|
4.2
|
41.0
|
1.0
|
OD2
|
A:ASP426
|
4.2
|
43.9
|
1.0
|
CB
|
A:ASP434
|
4.2
|
38.0
|
1.0
|
CB
|
A:ASP426
|
4.3
|
38.6
|
1.0
|
N
|
A:ASN430
|
4.3
|
41.2
|
1.0
|
N
|
A:ILE427
|
4.3
|
42.6
|
1.0
|
N
|
A:ASP428
|
4.3
|
42.3
|
1.0
|
N
|
A:ALA450
|
4.5
|
36.7
|
1.0
|
C
|
A:ASP426
|
4.6
|
42.0
|
1.0
|
N
|
A:PRO433
|
4.6
|
40.5
|
1.0
|
CB
|
A:ASP428
|
4.6
|
39.0
|
1.0
|
C
|
A:PRO433
|
4.7
|
38.3
|
1.0
|
N
|
A:ASP434
|
4.7
|
35.3
|
1.0
|
N
|
A:ASP429
|
4.7
|
46.8
|
1.0
|
CA
|
A:ASN430
|
4.7
|
41.7
|
1.0
|
CA
|
A:PRO433
|
4.8
|
36.6
|
1.0
|
CA
|
A:ASP428
|
4.9
|
45.6
|
1.0
|
CA
|
A:ASP434
|
4.9
|
34.7
|
1.0
|
N
|
A:GLY431
|
5.0
|
42.3
|
1.0
|
CB
|
A:ALA450
|
5.0
|
36.6
|
1.0
|
CG
|
A:ARG449
|
5.0
|
44.4
|
1.0
|
C
|
A:ASP428
|
5.0
|
47.5
|
1.0
|
|
Calcium binding site 5 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 5 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2002
b:206.4
occ:1.00
|
O
|
B:MET335
|
2.2
|
66.9
|
1.0
|
OD2
|
B:ASP127
|
2.2
|
67.9
|
1.0
|
OD1
|
B:ASP126
|
2.3
|
56.0
|
0.2
|
O
|
B:HOH2107
|
2.4
|
69.1
|
1.0
|
CG
|
B:ASP127
|
2.6
|
61.1
|
1.0
|
O
|
B:HOH2131
|
2.7
|
51.9
|
1.0
|
OD1
|
B:ASP127
|
2.8
|
63.1
|
1.0
|
C
|
B:MET335
|
3.3
|
67.0
|
1.0
|
CG
|
B:ASP126
|
3.4
|
59.0
|
0.2
|
CA
|
B:ASP336
|
3.5
|
57.0
|
1.0
|
N
|
B:ASP127
|
3.6
|
55.1
|
1.0
|
O
|
B:HOH2139
|
3.7
|
48.3
|
1.0
|
N
|
B:ASP336
|
3.8
|
60.0
|
1.0
|
CB
|
B:ASP127
|
3.8
|
53.7
|
1.0
|
CA
|
B:ASP127
|
4.0
|
51.2
|
1.0
|
O
|
B:HOH2144
|
4.1
|
63.9
|
1.0
|
OD2
|
B:ASP126
|
4.1
|
61.4
|
0.2
|
O
|
B:SER123
|
4.1
|
39.3
|
1.0
|
C
|
B:ASP126
|
4.2
|
56.8
|
0.2
|
C
|
B:ASP126
|
4.2
|
56.7
|
0.8
|
CB
|
B:ASP126
|
4.2
|
60.0
|
0.8
|
CB
|
B:ASP336
|
4.3
|
62.0
|
1.0
|
C
|
B:ASP336
|
4.4
|
50.5
|
1.0
|
CB
|
B:ASP126
|
4.5
|
60.5
|
0.2
|
CA
|
B:MET335
|
4.5
|
67.9
|
1.0
|
CA
|
B:MET124
|
4.5
|
40.5
|
1.0
|
CA
|
B:ASP126
|
4.6
|
58.2
|
0.8
|
N
|
B:ASP126
|
4.6
|
56.3
|
0.8
|
N
|
B:ASP126
|
4.6
|
56.5
|
0.2
|
CA
|
B:ASP126
|
4.6
|
58.1
|
0.2
|
C
|
B:MET124
|
4.8
|
40.5
|
1.0
|
O
|
B:ASP126
|
4.8
|
57.3
|
0.2
|
O
|
B:MET124
|
4.9
|
43.5
|
1.0
|
O
|
B:ASP336
|
4.9
|
48.1
|
1.0
|
|
Calcium binding site 6 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 6 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2003
b:31.2
occ:1.00
|
OD1
|
B:ASN215
|
2.2
|
40.3
|
1.0
|
O
|
B:PRO219
|
2.3
|
39.9
|
1.0
|
OD1
|
B:ASP217
|
2.4
|
35.2
|
1.0
|
OD2
|
B:ASP158
|
2.4
|
39.6
|
1.0
|
O
|
B:ASP217
|
2.5
|
41.5
|
1.0
|
OE1
|
B:GLU220
|
2.5
|
42.4
|
1.0
|
CG
|
B:ASP217
|
3.3
|
34.2
|
1.0
|
CG
|
B:ASN215
|
3.3
|
40.1
|
1.0
|
C
|
B:PRO219
|
3.3
|
38.3
|
1.0
|
CG
|
B:ASP158
|
3.4
|
37.9
|
1.0
|
C
|
B:ASP217
|
3.5
|
40.6
|
1.0
|
CD
|
B:GLU220
|
3.6
|
36.2
|
1.0
|
ND2
|
B:ASN215
|
3.7
|
35.5
|
1.0
|
CB
|
B:ASP158
|
3.8
|
36.2
|
1.0
|
OD2
|
B:ASP217
|
3.8
|
37.7
|
1.0
|
CA
|
B:GLU220
|
3.8
|
38.1
|
1.0
|
NE2
|
B:HIS255
|
4.0
|
37.4
|
1.0
|
N
|
B:GLU220
|
4.0
|
40.3
|
1.0
|
CA
|
B:ASP217
|
4.2
|
39.4
|
1.0
|
C
|
B:ALA218
|
4.2
|
42.1
|
1.0
|
N
|
B:ASP217
|
4.2
|
34.1
|
1.0
|
O
|
B:ALA218
|
4.2
|
42.9
|
1.0
|
OE2
|
B:GLU220
|
4.3
|
37.5
|
1.0
|
N
|
B:PRO219
|
4.3
|
38.4
|
1.0
|
CB
|
B:ASP217
|
4.3
|
35.0
|
1.0
|
CD2
|
B:HIS255
|
4.4
|
32.7
|
1.0
|
CA
|
B:PRO219
|
4.4
|
38.6
|
1.0
|
N
|
B:ALA218
|
4.5
|
41.6
|
1.0
|
CG
|
B:GLU220
|
4.5
|
34.0
|
1.0
|
OD1
|
B:ASP158
|
4.6
|
35.3
|
1.0
|
CB
|
B:GLU220
|
4.6
|
35.0
|
1.0
|
CB
|
B:ASN215
|
4.6
|
37.2
|
1.0
|
CA
|
B:ALA218
|
4.8
|
40.6
|
1.0
|
CD1
|
B:TYR164
|
4.9
|
35.6
|
1.0
|
C
|
B:GLU220
|
4.9
|
46.3
|
1.0
|
CD
|
B:PRO219
|
5.0
|
35.4
|
1.0
|
|
Calcium binding site 7 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 7 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca501
b:95.7
occ:1.00
|
OD1
|
C:ASP245
|
2.3
|
82.9
|
1.0
|
O
|
C:ASP247
|
2.4
|
94.5
|
1.0
|
OG1
|
C:THR250
|
2.4
|
95.1
|
1.0
|
OE2
|
C:GLU252
|
2.4
|
82.4
|
1.0
|
OE1
|
C:GLU252
|
2.4
|
82.4
|
1.0
|
OE2
|
C:GLU243
|
2.5
|
82.6
|
1.0
|
O
|
C:THR250
|
2.5
|
92.3
|
1.0
|
OE1
|
C:GLU243
|
2.5
|
83.5
|
1.0
|
CD
|
C:GLU252
|
2.7
|
80.0
|
1.0
|
CD
|
C:GLU243
|
2.8
|
82.0
|
1.0
|
C
|
C:THR250
|
3.0
|
90.6
|
1.0
|
CG
|
C:ASP245
|
3.2
|
87.4
|
1.0
|
CB
|
C:THR250
|
3.4
|
94.3
|
1.0
|
OD2
|
C:ASP245
|
3.5
|
90.1
|
1.0
|
C
|
C:ASP247
|
3.6
|
97.9
|
1.0
|
CA
|
C:THR250
|
3.6
|
94.7
|
1.0
|
N
|
C:THR251
|
3.8
|
89.1
|
1.0
|
N
|
C:THR250
|
3.9
|
98.7
|
1.0
|
CA
|
C:THR251
|
4.2
|
86.1
|
1.0
|
CG
|
C:GLU252
|
4.2
|
74.5
|
1.0
|
CG
|
C:GLU243
|
4.3
|
80.7
|
1.0
|
CA
|
C:ASP247
|
4.3
|
102.7
|
1.0
|
N
|
C:ASP247
|
4.4
|
104.1
|
1.0
|
O
|
C:HOH663
|
4.4
|
67.3
|
1.0
|
CB
|
C:ASP247
|
4.4
|
106.0
|
1.0
|
CB
|
C:ASP245
|
4.5
|
89.7
|
1.0
|
N
|
C:GLU252
|
4.5
|
75.9
|
1.0
|
C
|
C:THR251
|
4.5
|
84.4
|
1.0
|
N
|
C:ASP245
|
4.5
|
88.7
|
1.0
|
N
|
C:LEU248
|
4.6
|
95.5
|
1.0
|
CG2
|
C:THR250
|
4.7
|
96.6
|
1.0
|
CA
|
C:LEU248
|
4.7
|
93.0
|
1.0
|
CA
|
C:GLU243
|
4.7
|
76.5
|
1.0
|
N
|
C:PHE244
|
4.8
|
77.6
|
1.0
|
C
|
C:LEU248
|
4.8
|
94.7
|
1.0
|
CB
|
C:GLU243
|
4.9
|
77.6
|
1.0
|
CA
|
C:ASP245
|
4.9
|
92.8
|
1.0
|
N
|
C:GLY246
|
5.0
|
99.1
|
1.0
|
|
Calcium binding site 8 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 8 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca502
b:69.6
occ:1.00
|
OD1
|
C:ASN299
|
2.3
|
71.6
|
1.0
|
O
|
C:ARG303
|
2.4
|
78.7
|
1.0
|
OD1
|
C:ASP301
|
2.4
|
76.9
|
1.0
|
O
|
C:HOH607
|
2.5
|
57.2
|
1.0
|
OD1
|
C:ASP305
|
2.5
|
69.5
|
1.0
|
OD2
|
C:ASP305
|
2.5
|
74.5
|
1.0
|
OD1
|
C:ASP297
|
2.8
|
74.5
|
1.0
|
CG
|
C:ASP305
|
2.8
|
70.2
|
1.0
|
CG
|
C:ASP301
|
3.2
|
79.9
|
1.0
|
OD2
|
C:ASP301
|
3.3
|
83.0
|
1.0
|
CG
|
C:ASN299
|
3.3
|
69.5
|
1.0
|
C
|
C:ARG303
|
3.5
|
78.2
|
1.0
|
ND2
|
C:ASN299
|
3.7
|
71.2
|
1.0
|
CG
|
C:ASP297
|
3.7
|
70.7
|
1.0
|
N
|
C:ARG303
|
4.1
|
80.3
|
1.0
|
CA
|
C:ARG303
|
4.1
|
80.3
|
1.0
|
CB
|
C:ARG303
|
4.1
|
86.7
|
1.0
|
CA
|
C:ASP297
|
4.2
|
63.7
|
1.0
|
CB
|
C:ASP305
|
4.2
|
63.7
|
1.0
|
CB
|
C:ASP297
|
4.3
|
65.9
|
1.0
|
N
|
C:VAL298
|
4.3
|
64.0
|
1.0
|
N
|
C:ASN299
|
4.3
|
68.4
|
1.0
|
N
|
C:ASP305
|
4.4
|
61.2
|
1.0
|
C
|
C:HIS304
|
4.5
|
64.1
|
1.0
|
OD2
|
C:ASP297
|
4.6
|
70.8
|
1.0
|
CB
|
C:ASP301
|
4.6
|
78.5
|
1.0
|
N
|
C:HIS304
|
4.6
|
71.8
|
1.0
|
CB
|
C:ASN299
|
4.6
|
67.1
|
1.0
|
N
|
C:ASP301
|
4.6
|
75.5
|
1.0
|
C
|
C:ASP297
|
4.6
|
61.3
|
1.0
|
CD2
|
C:LEU332
|
4.7
|
62.8
|
1.0
|
CA
|
C:ASP305
|
4.8
|
62.0
|
1.0
|
O
|
C:HIS304
|
4.9
|
72.0
|
1.0
|
CA
|
C:ASN299
|
4.9
|
71.4
|
1.0
|
CA
|
C:HIS304
|
4.9
|
63.7
|
1.0
|
N
|
C:GLN333
|
4.9
|
68.6
|
1.0
|
N
|
C:GLY300
|
5.0
|
79.3
|
1.0
|
|
Calcium binding site 9 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 9 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca503
b:59.8
occ:1.00
|
O
|
C:TYR371
|
2.3
|
60.9
|
1.0
|
OD1
|
C:ASP367
|
2.3
|
60.9
|
1.0
|
OD1
|
C:ASP365
|
2.4
|
69.5
|
1.0
|
OD2
|
C:ASP373
|
2.4
|
62.3
|
1.0
|
O
|
C:HOH659
|
2.4
|
47.1
|
1.0
|
OD1
|
C:ASP369
|
2.5
|
64.9
|
1.0
|
OD1
|
C:ASP373
|
2.5
|
67.6
|
1.0
|
CG
|
C:ASP373
|
2.8
|
64.4
|
1.0
|
CG
|
C:ASP367
|
3.5
|
62.2
|
1.0
|
C
|
C:TYR371
|
3.5
|
64.5
|
1.0
|
CG
|
C:ASP365
|
3.5
|
70.0
|
1.0
|
CG
|
C:ASP369
|
3.5
|
69.2
|
1.0
|
N
|
C:LEU366
|
3.9
|
56.7
|
1.0
|
OD2
|
C:ASP369
|
4.0
|
69.2
|
1.0
|
OD2
|
C:ASP367
|
4.0
|
63.5
|
1.0
|
N
|
C:ASP367
|
4.0
|
64.4
|
1.0
|
CA
|
C:ASP365
|
4.1
|
60.5
|
1.0
|
N
|
C:TYR371
|
4.2
|
71.7
|
1.0
|
CA
|
C:TYR371
|
4.3
|
67.1
|
1.0
|
C
|
C:ASP365
|
4.3
|
63.2
|
1.0
|
OD2
|
C:ASP365
|
4.3
|
72.0
|
1.0
|
CB
|
C:ASP373
|
4.3
|
59.7
|
1.0
|
CB
|
C:ASP365
|
4.4
|
65.3
|
1.0
|
N
|
C:ASP369
|
4.4
|
64.0
|
1.0
|
C
|
C:ASN372
|
4.5
|
58.6
|
1.0
|
N
|
C:ASN372
|
4.5
|
62.7
|
1.0
|
CB
|
C:TYR371
|
4.5
|
67.0
|
1.0
|
N
|
C:ARG368
|
4.5
|
69.7
|
1.0
|
CD2
|
C:LEU393
|
4.6
|
51.5
|
1.0
|
CA
|
C:ASN372
|
4.6
|
58.0
|
1.0
|
N
|
C:GLY394
|
4.6
|
65.4
|
1.0
|
CB
|
C:ASP367
|
4.6
|
61.0
|
1.0
|
N
|
C:ASP373
|
4.7
|
57.0
|
1.0
|
CB
|
C:ASP369
|
4.7
|
60.2
|
1.0
|
CA
|
C:ASP367
|
4.7
|
63.2
|
1.0
|
O
|
C:ASN372
|
4.8
|
60.5
|
1.0
|
CA
|
C:LEU366
|
4.8
|
56.4
|
1.0
|
C
|
C:ASP367
|
4.9
|
65.8
|
1.0
|
C
|
C:LEU366
|
4.9
|
61.0
|
1.0
|
O
|
C:GLY394
|
5.0
|
68.1
|
1.0
|
N
|
C:GLY370
|
5.0
|
68.2
|
1.0
|
O
|
C:GLY364
|
5.0
|
54.7
|
1.0
|
|
Calcium binding site 10 out
of 12 in 7td8
Go back to
Calcium Binding Sites List in 7td8
Calcium binding site 10 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Tirofiban
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 Tirofiban within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca504
b:54.3
occ:1.00
|
OD1
|
C:ASN430
|
2.3
|
62.3
|
1.0
|
OD1
|
C:ASP428
|
2.3
|
58.5
|
1.0
|
OD1
|
C:ASP434
|
2.3
|
50.0
|
1.0
|
OD1
|
C:ASP426
|
2.4
|
55.4
|
1.0
|
O
|
C:TYR432
|
2.4
|
63.8
|
1.0
|
O
|
C:HOH650
|
2.4
|
50.8
|
1.0
|
OD2
|
C:ASP434
|
2.5
|
49.4
|
1.0
|
CG
|
C:ASP434
|
2.7
|
50.0
|
1.0
|
CG
|
C:ASN430
|
3.2
|
57.9
|
1.0
|
CG
|
C:ASP428
|
3.4
|
59.4
|
1.0
|
CG
|
C:ASP426
|
3.4
|
58.7
|
1.0
|
C
|
C:TYR432
|
3.5
|
59.0
|
1.0
|
OD2
|
C:ASP428
|
3.8
|
56.6
|
1.0
|
ND2
|
C:ASN430
|
3.9
|
56.1
|
1.0
|
N
|
C:TYR432
|
4.0
|
59.2
|
1.0
|
CA
|
C:ASP426
|
4.1
|
58.3
|
1.0
|
CA
|
C:TYR432
|
4.1
|
57.5
|
1.0
|
O
|
C:ALA450
|
4.1
|
52.2
|
1.0
|
CB
|
C:ASN430
|
4.2
|
56.7
|
1.0
|
CB
|
C:TYR432
|
4.2
|
54.6
|
1.0
|
CB
|
C:ASP426
|
4.2
|
58.8
|
1.0
|
CB
|
C:ASP434
|
4.2
|
44.0
|
1.0
|
OD2
|
C:ASP426
|
4.3
|
64.2
|
1.0
|
N
|
C:ILE427
|
4.3
|
57.1
|
1.0
|
N
|
C:ASP428
|
4.3
|
60.6
|
1.0
|
N
|
C:ASN430
|
4.3
|
61.3
|
1.0
|
N
|
C:ALA450
|
4.4
|
50.0
|
1.0
|
C
|
C:ASP426
|
4.5
|
60.7
|
1.0
|
N
|
C:ASP434
|
4.5
|
49.8
|
1.0
|
N
|
C:PRO433
|
4.6
|
57.0
|
1.0
|
CB
|
C:ASP428
|
4.6
|
60.0
|
1.0
|
C
|
C:PRO433
|
4.6
|
54.3
|
1.0
|
CA
|
C:ASN430
|
4.7
|
58.4
|
1.0
|
N
|
C:ASP429
|
4.8
|
69.0
|
1.0
|
CB
|
C:ALA450
|
4.8
|
46.6
|
1.0
|
CA
|
C:ASP434
|
4.8
|
47.1
|
1.0
|
CA
|
C:ASP428
|
4.9
|
63.1
|
1.0
|
CA
|
C:PRO433
|
4.9
|
56.4
|
1.0
|
C
|
C:ASN430
|
4.9
|
56.4
|
1.0
|
N
|
C:GLY431
|
4.9
|
60.1
|
1.0
|
C
|
C:ASP428
|
5.0
|
69.5
|
1.0
|
CA
|
C:ALA450
|
5.0
|
52.5
|
1.0
|
|
Reference:
J.Zhu,
F.-Y.Lin,
J.Zhu,
T.A.Springer.
Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Tirofiban. To Be Published.
Page generated: Fri Jul 19 04:28:59 2024
|