Calcium in PDB 7ujk: Integrin ALAPHIIBBETA3 Complex with Lamifiban
Protein crystallography data
The structure of Integrin ALAPHIIBBETA3 Complex with Lamifiban, PDB code: 7ujk
was solved by
F.-Y.Lin,
J.Zhu,
J.Zhu,
T.A.Springer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.78 /
2.43
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
259.379,
145.247,
105.288,
90,
90,
90
|
|
R / Rfree (%)
|
22.1 /
24.7
|
Other elements in 7ujk:
The structure of Integrin ALAPHIIBBETA3 Complex with Lamifiban 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 Lamifiban
(pdb code 7ujk). 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 Lamifiban, PDB code: 7ujk:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 1 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca504
b:48.6
occ:1.00
|
OD1
|
A:ASP245
|
2.3
|
51.5
|
1.0
|
|
O
|
A:THR250
|
2.3
|
50.9
|
1.0
|
|
OE1
|
A:GLU243
|
2.4
|
47.1
|
1.0
|
|
OE2
|
A:GLU243
|
2.4
|
47.8
|
1.0
|
|
OG1
|
A:THR250
|
2.4
|
52.5
|
1.0
|
|
OE1
|
A:GLU252
|
2.4
|
47.1
|
1.0
|
|
OE2
|
A:GLU252
|
2.4
|
47.6
|
1.0
|
|
O
|
A:ASP247
|
2.4
|
53.4
|
1.0
|
|
CD
|
A:GLU243
|
2.7
|
47.3
|
1.0
|
|
CD
|
A:GLU252
|
2.8
|
47.0
|
1.0
|
|
CG
|
A:ASP245
|
3.1
|
51.4
|
1.0
|
|
C
|
A:THR250
|
3.2
|
50.9
|
1.0
|
|
OD2
|
A:ASP245
|
3.3
|
51.4
|
1.0
|
|
CB
|
A:THR250
|
3.5
|
52.4
|
1.0
|
|
C
|
A:ASP247
|
3.6
|
54.5
|
1.0
|
|
CA
|
A:THR250
|
3.7
|
52.1
|
1.0
|
|
N
|
A:THR250
|
3.9
|
53.1
|
1.0
|
|
CG
|
A:GLU243
|
4.2
|
46.9
|
1.0
|
|
N
|
A:THR251
|
4.2
|
48.6
|
1.0
|
|
CG
|
A:GLU252
|
4.3
|
46.2
|
1.0
|
|
N
|
A:ASP245
|
4.3
|
50.1
|
1.0
|
|
CB
|
A:ASP245
|
4.3
|
51.2
|
1.0
|
|
N
|
A:ASP247
|
4.4
|
55.0
|
1.0
|
|
O
|
A:HOH642
|
4.4
|
50.6
|
1.0
|
|
CA
|
A:ASP247
|
4.4
|
55.5
|
1.0
|
|
CB
|
A:ASP247
|
4.5
|
55.7
|
1.0
|
|
N
|
A:PHE244
|
4.6
|
44.9
|
1.0
|
|
CA
|
A:THR251
|
4.6
|
47.5
|
1.0
|
|
CA
|
A:GLU243
|
4.6
|
44.9
|
1.0
|
|
N
|
A:LEU248
|
4.6
|
56.4
|
1.0
|
|
O
|
A:HOH736
|
4.7
|
52.5
|
1.0
|
|
CA
|
A:ASP245
|
4.7
|
51.2
|
1.0
|
|
N
|
A:GLU252
|
4.7
|
45.2
|
1.0
|
|
CG2
|
A:THR250
|
4.8
|
53.7
|
1.0
|
|
CA
|
A:LEU248
|
4.8
|
55.6
|
1.0
|
|
CB
|
A:GLU243
|
4.8
|
45.7
|
1.0
|
|
C
|
A:ASP245
|
4.8
|
52.5
|
1.0
|
|
C
|
A:THR251
|
4.8
|
46.9
|
1.0
|
|
N
|
A:GLY246
|
4.9
|
53.7
|
1.0
|
|
C
|
A:LEU248
|
5.0
|
55.5
|
1.0
|
|
Calcium binding site 2 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 2 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca505
b:38.3
occ:1.00
|
OD1
|
A:ASN299
|
2.3
|
40.2
|
1.0
|
|
O
|
A:ARG303
|
2.4
|
41.8
|
1.0
|
|
OD1
|
A:ASP297
|
2.4
|
39.0
|
1.0
|
|
OD1
|
A:ASP305
|
2.4
|
39.7
|
1.0
|
|
OD1
|
A:ASP301
|
2.4
|
41.8
|
1.0
|
|
OD2
|
A:ASP305
|
2.4
|
38.5
|
1.0
|
|
O
|
A:HOH604
|
2.5
|
40.9
|
1.0
|
|
CG
|
A:ASP305
|
2.7
|
38.5
|
1.0
|
|
CG
|
A:ASP301
|
3.3
|
42.7
|
1.0
|
|
OD2
|
A:ASP301
|
3.4
|
42.7
|
1.0
|
|
CG
|
A:ASN299
|
3.4
|
40.5
|
1.0
|
|
CG
|
A:ASP297
|
3.5
|
38.9
|
1.0
|
|
C
|
A:ARG303
|
3.5
|
42.1
|
1.0
|
|
ND2
|
A:ASN299
|
3.9
|
41.2
|
1.0
|
|
CB
|
A:ASP297
|
4.1
|
38.0
|
1.0
|
|
CB
|
A:ARG303
|
4.1
|
44.0
|
1.0
|
|
CA
|
A:ARG303
|
4.2
|
43.3
|
1.0
|
|
CB
|
A:ASP305
|
4.2
|
37.2
|
1.0
|
|
N
|
A:ARG303
|
4.2
|
43.9
|
1.0
|
|
CA
|
A:ASP297
|
4.2
|
37.0
|
1.0
|
|
N
|
A:ASN299
|
4.3
|
39.0
|
1.0
|
|
N
|
A:VAL298
|
4.4
|
38.0
|
1.0
|
|
N
|
A:ASP305
|
4.4
|
38.0
|
1.0
|
|
OD2
|
A:ASP297
|
4.5
|
39.6
|
1.0
|
|
C
|
A:HIS304
|
4.5
|
39.8
|
1.0
|
|
N
|
A:HIS304
|
4.6
|
41.3
|
1.0
|
|
CB
|
A:ASN299
|
4.6
|
40.4
|
1.0
|
|
C
|
A:ASP297
|
4.6
|
37.1
|
1.0
|
|
N
|
A:ASP301
|
4.7
|
42.8
|
1.0
|
|
CB
|
A:ASP301
|
4.7
|
43.9
|
1.0
|
|
CD2
|
A:LEU332
|
4.7
|
38.2
|
1.0
|
|
N
|
A:GLN333
|
4.7
|
41.9
|
1.0
|
|
CA
|
A:ASP305
|
4.7
|
37.5
|
1.0
|
|
O
|
A:HIS304
|
4.8
|
40.2
|
1.0
|
|
CA
|
A:ASN299
|
4.9
|
40.1
|
1.0
|
|
CA
|
A:HIS304
|
4.9
|
40.2
|
1.0
|
|
N
|
A:GLY300
|
4.9
|
39.8
|
1.0
|
|
Calcium binding site 3 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 3 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca506
b:37.0
occ:1.00
|
O
|
A:TYR371
|
2.3
|
37.7
|
1.0
|
|
OD1
|
A:ASP367
|
2.4
|
38.2
|
1.0
|
|
OD1
|
A:ASP365
|
2.4
|
37.1
|
1.0
|
|
OD1
|
A:ASP369
|
2.4
|
39.5
|
1.0
|
|
OD2
|
A:ASP373
|
2.4
|
36.6
|
1.0
|
|
OD1
|
A:ASP373
|
2.4
|
37.0
|
1.0
|
|
O
|
A:HOH668
|
2.5
|
37.5
|
1.0
|
|
CG
|
A:ASP373
|
2.8
|
36.4
|
1.0
|
|
C
|
A:TYR371
|
3.4
|
38.2
|
1.0
|
|
CG
|
A:ASP367
|
3.5
|
38.6
|
1.0
|
|
CG
|
A:ASP369
|
3.5
|
40.4
|
1.0
|
|
CG
|
A:ASP365
|
3.6
|
37.7
|
1.0
|
|
OD2
|
A:ASP367
|
4.0
|
39.2
|
1.0
|
|
OD2
|
A:ASP369
|
4.1
|
40.7
|
1.0
|
|
N
|
A:LEU366
|
4.1
|
37.1
|
1.0
|
|
N
|
A:TYR371
|
4.2
|
40.5
|
1.0
|
|
CA
|
A:ASP365
|
4.2
|
35.7
|
1.0
|
|
CA
|
A:TYR371
|
4.2
|
39.7
|
1.0
|
|
N
|
A:ASP367
|
4.2
|
37.3
|
1.0
|
|
CB
|
A:ASP373
|
4.3
|
35.3
|
1.0
|
|
OD2
|
A:ASP365
|
4.3
|
39.0
|
1.0
|
|
CB
|
A:TYR371
|
4.4
|
39.8
|
1.0
|
|
N
|
A:ASN372
|
4.4
|
38.1
|
1.0
|
|
C
|
A:ASN372
|
4.4
|
36.0
|
1.0
|
|
CB
|
A:ASP365
|
4.4
|
37.1
|
1.0
|
|
N
|
A:ASP369
|
4.5
|
40.7
|
1.0
|
|
C
|
A:ASP365
|
4.5
|
35.3
|
1.0
|
|
CD2
|
A:LEU393
|
4.5
|
36.9
|
1.0
|
|
N
|
A:GLY394
|
4.5
|
38.5
|
1.0
|
|
CA
|
A:ASN372
|
4.6
|
36.9
|
1.0
|
|
N
|
A:ASP373
|
4.6
|
36.1
|
1.0
|
|
CB
|
A:ASP369
|
4.6
|
41.4
|
1.0
|
|
N
|
A:ARG368
|
4.7
|
38.1
|
1.0
|
|
O
|
A:ASN372
|
4.7
|
36.2
|
1.0
|
|
CB
|
A:ASP367
|
4.7
|
38.4
|
1.0
|
|
CB
|
A:LEU393
|
4.9
|
38.0
|
1.0
|
|
CA
|
A:ASP367
|
4.9
|
38.2
|
1.0
|
|
O
|
A:GLY394
|
4.9
|
41.0
|
1.0
|
|
CA
|
A:ASP373
|
5.0
|
35.3
|
1.0
|
|
CA
|
A:ASP369
|
5.0
|
41.8
|
1.0
|
|
Calcium binding site 4 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 4 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca507
b:36.2
occ:1.00
|
O
|
A:TYR432
|
2.3
|
36.8
|
1.0
|
|
OD1
|
A:ASP428
|
2.3
|
38.8
|
1.0
|
|
OD1
|
A:ASP434
|
2.3
|
36.0
|
1.0
|
|
OD1
|
A:ASN430
|
2.4
|
38.9
|
1.0
|
|
OD1
|
A:ASP426
|
2.4
|
37.7
|
1.0
|
|
OD2
|
A:ASP434
|
2.4
|
36.5
|
1.0
|
|
O
|
A:HOH653
|
2.4
|
36.9
|
1.0
|
|
CG
|
A:ASP434
|
2.7
|
35.9
|
1.0
|
|
CG
|
A:ASN430
|
3.4
|
39.4
|
1.0
|
|
CG
|
A:ASP428
|
3.4
|
39.0
|
1.0
|
|
C
|
A:TYR432
|
3.5
|
37.0
|
1.0
|
|
CG
|
A:ASP426
|
3.5
|
38.3
|
1.0
|
|
OD2
|
A:ASP428
|
3.8
|
39.1
|
1.0
|
|
ND2
|
A:ASN430
|
4.0
|
39.1
|
1.0
|
|
N
|
A:TYR432
|
4.1
|
38.8
|
1.0
|
|
CA
|
A:ASP426
|
4.1
|
37.0
|
1.0
|
|
CA
|
A:TYR432
|
4.2
|
37.9
|
1.0
|
|
CB
|
A:ASP434
|
4.2
|
35.0
|
1.0
|
|
O
|
A:ALA450
|
4.3
|
38.1
|
1.0
|
|
CB
|
A:ASP426
|
4.3
|
37.9
|
1.0
|
|
OD2
|
A:ASP426
|
4.3
|
39.4
|
1.0
|
|
N
|
A:ILE427
|
4.3
|
38.3
|
1.0
|
|
N
|
A:ASP428
|
4.3
|
39.1
|
1.0
|
|
CB
|
A:TYR432
|
4.4
|
37.6
|
1.0
|
|
CB
|
A:ASN430
|
4.4
|
40.4
|
1.0
|
|
N
|
A:ASN430
|
4.4
|
40.9
|
1.0
|
|
N
|
A:ALA450
|
4.5
|
36.3
|
1.0
|
|
N
|
A:PRO433
|
4.5
|
36.7
|
1.0
|
|
C
|
A:PRO433
|
4.5
|
35.1
|
1.0
|
|
N
|
A:ASP434
|
4.5
|
35.2
|
1.0
|
|
C
|
A:ASP426
|
4.6
|
37.3
|
1.0
|
|
CA
|
A:PRO433
|
4.6
|
36.0
|
1.0
|
|
CB
|
A:ASP428
|
4.6
|
39.5
|
1.0
|
|
N
|
A:ASP429
|
4.8
|
41.1
|
1.0
|
|
CA
|
A:ASP434
|
4.8
|
34.6
|
1.0
|
|
CA
|
A:ASN430
|
4.9
|
41.2
|
1.0
|
|
CA
|
A:ASP428
|
4.9
|
39.9
|
1.0
|
|
CB
|
A:ALA450
|
4.9
|
36.7
|
1.0
|
|
O
|
A:PRO433
|
5.0
|
34.9
|
1.0
|
|
N
|
A:GLY431
|
5.0
|
40.0
|
1.0
|
|
Calcium binding site 5 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 5 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2002
b:52.2
occ:1.00
|
OD1
|
B:ASP126
|
2.3
|
50.1
|
1.0
|
|
OD1
|
B:ASP127
|
2.4
|
45.9
|
1.0
|
|
OD2
|
B:ASP126
|
2.4
|
51.2
|
1.0
|
|
O
|
B:HOH2193
|
2.5
|
44.4
|
1.0
|
|
O
|
B:SER123
|
2.5
|
43.6
|
1.0
|
|
CG
|
B:ASP126
|
2.7
|
50.9
|
1.0
|
|
O
|
B:MET335
|
2.7
|
48.5
|
1.0
|
|
CG
|
B:ASP127
|
3.6
|
45.6
|
1.0
|
|
C
|
B:SER123
|
3.7
|
42.9
|
1.0
|
|
O
|
B:HOH2103
|
3.9
|
48.7
|
1.0
|
|
C
|
B:MET335
|
4.0
|
49.0
|
1.0
|
|
CA
|
B:MET124
|
4.1
|
42.2
|
1.0
|
|
CB
|
B:ASP126
|
4.1
|
51.6
|
1.0
|
|
N
|
B:ASP127
|
4.2
|
46.9
|
1.0
|
|
OD2
|
B:ASP127
|
4.2
|
45.6
|
1.0
|
|
N
|
B:MET124
|
4.3
|
42.2
|
1.0
|
|
O
|
B:HOH2191
|
4.4
|
45.0
|
1.0
|
|
N
|
B:ASP126
|
4.4
|
49.8
|
1.0
|
|
CA
|
B:ASP336
|
4.5
|
46.1
|
1.0
|
|
C
|
B:MET124
|
4.5
|
42.9
|
1.0
|
|
CA
|
B:ASP126
|
4.7
|
50.6
|
1.0
|
|
CB
|
B:ASP127
|
4.7
|
45.4
|
1.0
|
|
N
|
B:ASP336
|
4.7
|
46.4
|
1.0
|
|
OD2
|
B:ASP251
|
4.7
|
40.4
|
1.0
|
|
C
|
B:ASP126
|
4.8
|
50.0
|
1.0
|
|
N
|
B:LYS125
|
4.8
|
46.5
|
1.0
|
|
CA
|
B:SER123
|
4.9
|
43.0
|
1.0
|
|
CA
|
B:ASP127
|
4.9
|
46.4
|
1.0
|
|
CA
|
B:MET335
|
5.0
|
49.5
|
1.0
|
|
Calcium binding site 6 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 6 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2003
b:33.5
occ:1.00
|
O
|
B:PRO219
|
2.1
|
33.4
|
1.0
|
|
OD1
|
B:ASN215
|
2.3
|
35.9
|
1.0
|
|
OD1
|
B:ASP217
|
2.3
|
33.8
|
1.0
|
|
OE1
|
B:GLU220
|
2.4
|
34.8
|
1.0
|
|
OD2
|
B:ASP158
|
2.4
|
33.1
|
1.0
|
|
O
|
B:ASP217
|
2.5
|
34.6
|
1.0
|
|
C
|
B:PRO219
|
3.2
|
33.4
|
1.0
|
|
CG
|
B:ASP217
|
3.3
|
33.9
|
1.0
|
|
CG
|
B:ASN215
|
3.4
|
36.3
|
1.0
|
|
CG
|
B:ASP158
|
3.4
|
32.9
|
1.0
|
|
CD
|
B:GLU220
|
3.4
|
35.1
|
1.0
|
|
C
|
B:ASP217
|
3.5
|
35.0
|
1.0
|
|
CB
|
B:ASP158
|
3.8
|
33.2
|
1.0
|
|
CA
|
B:GLU220
|
3.8
|
33.9
|
1.0
|
|
OD2
|
B:ASP217
|
3.8
|
33.4
|
1.0
|
|
ND2
|
B:ASN215
|
3.9
|
36.5
|
1.0
|
|
N
|
B:GLU220
|
3.9
|
34.1
|
1.0
|
|
OE2
|
B:GLU220
|
4.2
|
35.8
|
1.0
|
|
CA
|
B:ASP217
|
4.2
|
35.2
|
1.0
|
|
N
|
B:ASP217
|
4.2
|
35.4
|
1.0
|
|
C
|
B:ALA218
|
4.2
|
34.1
|
1.0
|
|
NE2
|
B:HIS255
|
4.3
|
32.3
|
1.0
|
|
N
|
B:PRO219
|
4.3
|
34.4
|
1.0
|
|
CB
|
B:ASP217
|
4.3
|
34.6
|
1.0
|
|
O
|
B:ALA218
|
4.3
|
34.0
|
1.0
|
|
CG
|
B:GLU220
|
4.4
|
34.9
|
1.0
|
|
CA
|
B:PRO219
|
4.4
|
33.8
|
1.0
|
|
N
|
B:ALA218
|
4.5
|
34.8
|
1.0
|
|
CB
|
B:GLU220
|
4.5
|
34.2
|
1.0
|
|
OD1
|
B:ASP158
|
4.5
|
32.6
|
1.0
|
|
CD2
|
B:HIS255
|
4.5
|
32.0
|
1.0
|
|
CB
|
B:ASN215
|
4.7
|
36.7
|
1.0
|
|
CA
|
B:ALA218
|
4.8
|
34.9
|
1.0
|
|
C
|
B:GLU220
|
4.9
|
33.4
|
1.0
|
|
CD1
|
B:TYR164
|
5.0
|
34.8
|
1.0
|
|
Calcium binding site 7 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 7 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca506
b:64.4
occ:1.00
|
OD1
|
C:ASP245
|
2.4
|
65.4
|
1.0
|
|
O
|
C:ASP247
|
2.4
|
66.6
|
1.0
|
|
O
|
C:THR250
|
2.4
|
64.1
|
1.0
|
|
OE2
|
C:GLU243
|
2.4
|
65.1
|
1.0
|
|
OE2
|
C:GLU252
|
2.4
|
63.3
|
1.0
|
|
OE1
|
C:GLU243
|
2.4
|
63.5
|
1.0
|
|
OE1
|
C:GLU252
|
2.4
|
62.9
|
1.0
|
|
OG1
|
C:THR250
|
2.4
|
66.8
|
1.0
|
|
CD
|
C:GLU243
|
2.7
|
64.0
|
1.0
|
|
CD
|
C:GLU252
|
2.7
|
62.6
|
1.0
|
|
C
|
C:THR250
|
3.1
|
64.2
|
1.0
|
|
CG
|
C:ASP245
|
3.1
|
65.8
|
1.0
|
|
OD2
|
C:ASP245
|
3.2
|
66.3
|
1.0
|
|
CB
|
C:THR250
|
3.5
|
66.6
|
1.0
|
|
C
|
C:ASP247
|
3.6
|
68.3
|
1.0
|
|
CA
|
C:THR250
|
3.7
|
66.0
|
1.0
|
|
N
|
C:THR250
|
3.9
|
67.5
|
1.0
|
|
N
|
C:THR251
|
3.9
|
63.7
|
1.0
|
|
CG
|
C:GLU243
|
4.2
|
63.4
|
1.0
|
|
CG
|
C:GLU252
|
4.2
|
61.5
|
1.0
|
|
CA
|
C:THR251
|
4.3
|
62.0
|
1.0
|
|
N
|
C:ASP247
|
4.4
|
69.3
|
1.0
|
|
CB
|
C:ASP245
|
4.4
|
65.6
|
1.0
|
|
CA
|
C:ASP247
|
4.4
|
69.9
|
1.0
|
|
N
|
C:ASP245
|
4.5
|
63.6
|
1.0
|
|
N
|
C:LEU248
|
4.6
|
70.1
|
1.0
|
|
CB
|
C:ASP247
|
4.6
|
70.5
|
1.0
|
|
N
|
C:GLU252
|
4.6
|
59.7
|
1.0
|
|
C
|
C:THR251
|
4.6
|
61.2
|
1.0
|
|
CA
|
C:LEU248
|
4.7
|
68.7
|
1.0
|
|
N
|
C:GLY246
|
4.7
|
66.3
|
1.0
|
|
CA
|
C:GLU243
|
4.7
|
60.3
|
1.0
|
|
N
|
C:PHE244
|
4.7
|
61.4
|
1.0
|
|
CG2
|
C:THR250
|
4.8
|
68.5
|
1.0
|
|
CB
|
C:GLU243
|
4.8
|
61.5
|
1.0
|
|
O
|
C:HOH609
|
4.8
|
62.7
|
1.0
|
|
CA
|
C:ASP245
|
4.9
|
65.4
|
1.0
|
|
C
|
C:LEU248
|
4.9
|
68.6
|
1.0
|
|
C
|
C:GLY246
|
5.0
|
68.7
|
1.0
|
|
Calcium binding site 8 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 8 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca507
b:56.6
occ:1.00
|
OD1
|
C:ASN299
|
2.3
|
59.1
|
1.0
|
|
OD1
|
C:ASP297
|
2.4
|
58.2
|
1.0
|
|
O
|
C:ARG303
|
2.4
|
57.4
|
1.0
|
|
OD1
|
C:ASP305
|
2.4
|
57.2
|
1.0
|
|
OD1
|
C:ASP301
|
2.4
|
59.3
|
1.0
|
|
OD2
|
C:ASP305
|
2.4
|
55.4
|
1.0
|
|
O
|
C:HOH637
|
2.4
|
58.8
|
1.0
|
|
CG
|
C:ASP305
|
2.7
|
55.4
|
1.0
|
|
CG
|
C:ASN299
|
3.3
|
59.0
|
1.0
|
|
CG
|
C:ASP301
|
3.4
|
61.3
|
1.0
|
|
C
|
C:ARG303
|
3.5
|
58.6
|
1.0
|
|
CG
|
C:ASP297
|
3.5
|
58.1
|
1.0
|
|
ND2
|
C:ASN299
|
3.7
|
59.8
|
1.0
|
|
OD2
|
C:ASP301
|
3.7
|
62.0
|
1.0
|
|
N
|
C:ARG303
|
4.2
|
62.0
|
1.0
|
|
CA
|
C:ARG303
|
4.2
|
61.4
|
1.0
|
|
CA
|
C:ASP297
|
4.2
|
54.1
|
1.0
|
|
CB
|
C:ASP305
|
4.2
|
53.5
|
1.0
|
|
CB
|
C:ARG303
|
4.2
|
62.7
|
1.0
|
|
N
|
C:ASN299
|
4.2
|
55.3
|
1.0
|
|
N
|
C:VAL298
|
4.3
|
54.7
|
1.0
|
|
CB
|
C:ASP297
|
4.3
|
56.3
|
1.0
|
|
N
|
C:ASP305
|
4.4
|
54.7
|
1.0
|
|
OD2
|
C:ASP297
|
4.4
|
59.6
|
1.0
|
|
C
|
C:HIS304
|
4.5
|
55.9
|
1.0
|
|
CD2
|
C:LEU332
|
4.5
|
54.5
|
1.0
|
|
CB
|
C:ASN299
|
4.6
|
58.4
|
1.0
|
|
N
|
C:ASP301
|
4.6
|
60.3
|
1.0
|
|
N
|
C:HIS304
|
4.6
|
59.1
|
1.0
|
|
C
|
C:ASP297
|
4.6
|
53.4
|
1.0
|
|
CB
|
C:ASP301
|
4.7
|
63.2
|
1.0
|
|
CA
|
C:ASN299
|
4.8
|
57.3
|
1.0
|
|
CA
|
C:ASP305
|
4.8
|
53.8
|
1.0
|
|
O
|
C:HIS304
|
4.8
|
57.0
|
1.0
|
|
N
|
C:GLY300
|
4.9
|
57.1
|
1.0
|
|
CA
|
C:HIS304
|
4.9
|
56.7
|
1.0
|
|
C
|
C:ASN299
|
4.9
|
59.3
|
1.0
|
|
N
|
C:GLN333
|
4.9
|
59.7
|
1.0
|
|
Calcium binding site 9 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 9 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca508
b:51.3
occ:1.00
|
O
|
C:TYR371
|
2.3
|
51.4
|
1.0
|
|
OD1
|
C:ASP367
|
2.4
|
54.5
|
1.0
|
|
O
|
C:HOH627
|
2.4
|
53.9
|
1.0
|
|
OD1
|
C:ASP365
|
2.4
|
53.8
|
1.0
|
|
OD2
|
C:ASP373
|
2.4
|
50.2
|
1.0
|
|
OD1
|
C:ASP369
|
2.5
|
53.6
|
1.0
|
|
OD1
|
C:ASP373
|
2.5
|
50.8
|
1.0
|
|
CG
|
C:ASP373
|
2.8
|
49.8
|
1.0
|
|
C
|
C:TYR371
|
3.5
|
52.4
|
1.0
|
|
CG
|
C:ASP369
|
3.5
|
55.0
|
1.0
|
|
CG
|
C:ASP367
|
3.5
|
55.2
|
1.0
|
|
CG
|
C:ASP365
|
3.5
|
54.8
|
1.0
|
|
OD2
|
C:ASP369
|
3.9
|
55.0
|
1.0
|
|
N
|
C:LEU366
|
3.9
|
53.7
|
1.0
|
|
OD2
|
C:ASP367
|
4.0
|
56.2
|
1.0
|
|
N
|
C:ASP367
|
4.1
|
53.4
|
1.0
|
|
CA
|
C:ASP365
|
4.2
|
51.6
|
1.0
|
|
OD2
|
C:ASP365
|
4.3
|
56.8
|
1.0
|
|
N
|
C:TYR371
|
4.3
|
56.0
|
1.0
|
|
CA
|
C:TYR371
|
4.3
|
54.6
|
1.0
|
|
CB
|
C:ASP373
|
4.3
|
48.1
|
1.0
|
|
C
|
C:ASP365
|
4.4
|
50.8
|
1.0
|
|
C
|
C:ASN372
|
4.4
|
50.0
|
1.0
|
|
CB
|
C:TYR371
|
4.5
|
54.7
|
1.0
|
|
CB
|
C:ASP365
|
4.5
|
53.8
|
1.0
|
|
N
|
C:ASN372
|
4.5
|
53.4
|
1.0
|
|
N
|
C:ASP369
|
4.6
|
56.0
|
1.0
|
|
N
|
C:GLY394
|
4.6
|
51.5
|
1.0
|
|
CA
|
C:ASN372
|
4.6
|
51.5
|
1.0
|
|
O
|
C:ASN372
|
4.7
|
50.4
|
1.0
|
|
CD2
|
C:LEU393
|
4.7
|
49.4
|
1.0
|
|
N
|
C:ARG368
|
4.7
|
54.8
|
1.0
|
|
N
|
C:ASP373
|
4.7
|
49.6
|
1.0
|
|
CB
|
C:ASP369
|
4.7
|
56.9
|
1.0
|
|
CB
|
C:ASP367
|
4.8
|
55.0
|
1.0
|
|
CA
|
C:LEU366
|
4.8
|
52.9
|
1.0
|
|
CA
|
C:ASP367
|
4.8
|
54.8
|
1.0
|
|
CB
|
C:LEU393
|
4.9
|
51.1
|
1.0
|
|
O
|
C:GLY394
|
5.0
|
55.4
|
1.0
|
|
C
|
C:LEU366
|
5.0
|
54.2
|
1.0
|
|
Calcium binding site 10 out
of 12 in 7ujk
Go back to
Calcium Binding Sites List in 7ujk
Calcium binding site 10 out
of 12 in the Integrin ALAPHIIBBETA3 Complex with Lamifiban
 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 Lamifiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca509
b:49.2
occ:1.00
|
O
|
C:TYR432
|
2.3
|
48.9
|
1.0
|
|
OD1
|
C:ASP434
|
2.3
|
47.0
|
1.0
|
|
OD1
|
C:ASP426
|
2.3
|
49.6
|
1.0
|
|
OD1
|
C:ASP428
|
2.4
|
50.4
|
1.0
|
|
OD1
|
C:ASN430
|
2.4
|
50.6
|
1.0
|
|
OD2
|
C:ASP434
|
2.4
|
47.6
|
1.0
|
|
O
|
C:HOH614
|
2.4
|
48.7
|
1.0
|
|
CG
|
C:ASP434
|
2.7
|
46.7
|
1.0
|
|
CG
|
C:ASP426
|
3.3
|
50.6
|
1.0
|
|
CG
|
C:ASN430
|
3.4
|
51.3
|
1.0
|
|
C
|
C:TYR432
|
3.4
|
49.5
|
1.0
|
|
CG
|
C:ASP428
|
3.5
|
50.4
|
1.0
|
|
CA
|
C:ASP426
|
4.0
|
48.5
|
1.0
|
|
OD2
|
C:ASP428
|
4.0
|
50.5
|
1.0
|
|
CB
|
C:ASP426
|
4.1
|
50.1
|
1.0
|
|
N
|
C:TYR432
|
4.1
|
52.3
|
1.0
|
|
ND2
|
C:ASN430
|
4.1
|
50.9
|
1.0
|
|
CA
|
C:TYR432
|
4.1
|
51.0
|
1.0
|
|
CB
|
C:ASP434
|
4.2
|
45.5
|
1.0
|
|
OD2
|
C:ASP426
|
4.2
|
52.3
|
1.0
|
|
CB
|
C:TYR432
|
4.3
|
50.5
|
1.0
|
|
N
|
C:ILE427
|
4.3
|
48.6
|
1.0
|
|
N
|
C:ASN430
|
4.3
|
53.3
|
1.0
|
|
N
|
C:ASP428
|
4.4
|
50.5
|
1.0
|
|
O
|
C:ALA450
|
4.4
|
50.0
|
1.0
|
|
N
|
C:ASP434
|
4.4
|
46.4
|
1.0
|
|
C
|
C:ASP426
|
4.5
|
48.6
|
1.0
|
|
N
|
C:PRO433
|
4.5
|
50.1
|
1.0
|
|
CB
|
C:ASN430
|
4.5
|
52.8
|
1.0
|
|
C
|
C:PRO433
|
4.5
|
47.3
|
1.0
|
|
N
|
C:ALA450
|
4.6
|
47.1
|
1.0
|
|
N
|
C:ASP429
|
4.6
|
52.7
|
1.0
|
|
CA
|
C:PRO433
|
4.7
|
48.8
|
1.0
|
|
CB
|
C:ASP428
|
4.7
|
50.6
|
1.0
|
|
CA
|
C:ASP434
|
4.8
|
45.2
|
1.0
|
|
CA
|
C:ASN430
|
4.9
|
54.1
|
1.0
|
|
CA
|
C:ASP428
|
4.9
|
51.4
|
1.0
|
|
CB
|
C:ALA450
|
4.9
|
48.4
|
1.0
|
|
C
|
C:ASP428
|
5.0
|
53.1
|
1.0
|
|
N
|
C:GLY431
|
5.0
|
53.2
|
1.0
|
|
Reference:
J.Zhu,
F.-Y.Lin,
J.Zhu,
T.A.Springer.
Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Lamifiban To Be Published.
Page generated: Fri Jul 19 04:55:27 2024
|
