Calcium in PDB 7udg: Integrin ALAPHIIBBETA3 Complex with Lotrafiban
Protein crystallography data
The structure of Integrin ALAPHIIBBETA3 Complex with Lotrafiban, PDB code: 7udg
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)
|
49.14 /
2.80
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
256.76,
144.17,
104.55,
90,
90,
90
|
|
R / Rfree (%)
|
21.3 /
23.5
|
Other elements in 7udg:
The structure of Integrin ALAPHIIBBETA3 Complex with Lotrafiban also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
(pdb code 7udg). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Integrin ALAPHIIBBETA3 Complex with Lotrafiban, PDB code: 7udg:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 1 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:72.4
occ:1.00
|
O
|
A:ASP247
|
2.3
|
80.7
|
1.0
|
|
OD1
|
A:ASP245
|
2.3
|
75.1
|
1.0
|
|
OE2
|
A:GLU252
|
2.4
|
71.3
|
1.0
|
|
OE1
|
A:GLU252
|
2.4
|
71.9
|
1.0
|
|
O
|
A:THR250
|
2.4
|
77.8
|
1.0
|
|
OG1
|
A:THR250
|
2.4
|
82.7
|
1.0
|
|
OE2
|
A:GLU243
|
2.5
|
74.3
|
1.0
|
|
OE1
|
A:GLU243
|
2.5
|
73.7
|
1.0
|
|
CD
|
A:GLU252
|
2.7
|
71.5
|
1.0
|
|
CD
|
A:GLU243
|
2.8
|
72.6
|
1.0
|
|
C
|
A:THR250
|
3.1
|
76.3
|
1.0
|
|
CG
|
A:ASP245
|
3.1
|
75.6
|
1.0
|
|
OD2
|
A:ASP245
|
3.4
|
78.3
|
1.0
|
|
C
|
A:ASP247
|
3.4
|
79.8
|
1.0
|
|
CB
|
A:THR250
|
3.5
|
85.5
|
1.0
|
|
CA
|
A:THR250
|
3.7
|
79.2
|
1.0
|
|
N
|
A:THR250
|
4.0
|
84.6
|
1.0
|
|
N
|
A:THR251
|
4.0
|
72.9
|
1.0
|
|
N
|
A:ASP247
|
4.0
|
79.1
|
1.0
|
|
CA
|
A:ASP247
|
4.1
|
81.4
|
1.0
|
|
CG
|
A:GLU252
|
4.2
|
67.5
|
1.0
|
|
CB
|
A:ASP247
|
4.2
|
86.5
|
1.0
|
|
CG
|
A:GLU243
|
4.3
|
73.5
|
1.0
|
|
N
|
A:ASP245
|
4.4
|
70.9
|
1.0
|
|
CA
|
A:THR251
|
4.4
|
73.7
|
1.0
|
|
CB
|
A:ASP245
|
4.4
|
74.6
|
1.0
|
|
N
|
A:LEU248
|
4.5
|
85.4
|
1.0
|
|
N
|
A:PHE244
|
4.6
|
67.4
|
1.0
|
|
N
|
A:GLU252
|
4.7
|
69.5
|
1.0
|
|
C
|
A:THR251
|
4.7
|
72.5
|
1.0
|
|
O
|
A:HOH684
|
4.7
|
78.6
|
1.0
|
|
CA
|
A:LEU248
|
4.7
|
86.6
|
1.0
|
|
CA
|
A:GLU243
|
4.7
|
69.2
|
1.0
|
|
O
|
A:HOH688
|
4.7
|
70.8
|
1.0
|
|
CG2
|
A:THR250
|
4.8
|
91.3
|
1.0
|
|
CA
|
A:ASP245
|
4.8
|
75.7
|
1.0
|
|
N
|
A:GLY246
|
4.8
|
76.5
|
1.0
|
|
CB
|
A:GLU243
|
5.0
|
69.8
|
1.0
|
|
C
|
A:ASP245
|
5.0
|
78.8
|
1.0
|
|
C
|
A:LEU248
|
5.0
|
87.2
|
1.0
|
|
Calcium binding site 2 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 2 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca504
b:55.4
occ:1.00
|
OD1
|
A:ASN299
|
2.2
|
60.0
|
1.0
|
|
O
|
A:ARG303
|
2.3
|
63.1
|
1.0
|
|
O
|
A:HOH648
|
2.4
|
53.2
|
1.0
|
|
OD1
|
A:ASP297
|
2.4
|
60.7
|
1.0
|
|
OD1
|
A:ASP305
|
2.5
|
58.4
|
1.0
|
|
OD2
|
A:ASP305
|
2.5
|
61.8
|
1.0
|
|
OD1
|
A:ASP301
|
2.5
|
65.0
|
1.0
|
|
CG
|
A:ASP305
|
2.8
|
57.2
|
1.0
|
|
CG
|
A:ASN299
|
3.3
|
60.3
|
1.0
|
|
CG
|
A:ASP301
|
3.4
|
66.5
|
1.0
|
|
C
|
A:ARG303
|
3.4
|
64.5
|
1.0
|
|
CG
|
A:ASP297
|
3.5
|
61.5
|
1.0
|
|
OD2
|
A:ASP301
|
3.6
|
66.2
|
1.0
|
|
ND2
|
A:ASN299
|
3.7
|
61.3
|
1.0
|
|
N
|
A:ARG303
|
4.1
|
68.0
|
1.0
|
|
CA
|
A:ARG303
|
4.1
|
66.8
|
1.0
|
|
CB
|
A:ARG303
|
4.2
|
66.5
|
1.0
|
|
CA
|
A:ASP297
|
4.2
|
56.9
|
1.0
|
|
CB
|
A:ASP305
|
4.2
|
55.1
|
1.0
|
|
CB
|
A:ASP297
|
4.2
|
59.7
|
1.0
|
|
N
|
A:ASN299
|
4.3
|
57.9
|
1.0
|
|
N
|
A:VAL298
|
4.4
|
58.1
|
1.0
|
|
C
|
A:HIS304
|
4.4
|
57.0
|
1.0
|
|
N
|
A:ASP305
|
4.4
|
58.5
|
1.0
|
|
OD2
|
A:ASP297
|
4.5
|
63.8
|
1.0
|
|
N
|
A:HIS304
|
4.5
|
61.0
|
1.0
|
|
CB
|
A:ASN299
|
4.6
|
59.9
|
1.0
|
|
O
|
A:HIS304
|
4.6
|
57.1
|
1.0
|
|
N
|
A:ASP301
|
4.6
|
67.3
|
1.0
|
|
C
|
A:ASP297
|
4.6
|
56.3
|
1.0
|
|
CB
|
A:ASP301
|
4.7
|
69.2
|
1.0
|
|
CA
|
A:ASP305
|
4.8
|
55.9
|
1.0
|
|
CA
|
A:HIS304
|
4.8
|
59.1
|
1.0
|
|
CD2
|
A:LEU332
|
4.8
|
61.9
|
1.0
|
|
N
|
A:GLN333
|
4.8
|
62.4
|
1.0
|
|
CA
|
A:ASN299
|
4.9
|
59.8
|
1.0
|
|
N
|
A:GLY300
|
4.9
|
62.8
|
1.0
|
|
Calcium binding site 3 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 3 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca505
b:50.6
occ:1.00
|
O
|
A:TYR371
|
2.2
|
58.4
|
1.0
|
|
OD1
|
A:ASP365
|
2.3
|
60.5
|
1.0
|
|
O
|
A:HOH658
|
2.3
|
50.7
|
1.0
|
|
OD1
|
A:ASP367
|
2.4
|
63.3
|
1.0
|
|
OD1
|
A:ASP369
|
2.4
|
63.7
|
1.0
|
|
OD1
|
A:ASP373
|
2.4
|
57.0
|
1.0
|
|
OD2
|
A:ASP373
|
2.5
|
57.6
|
1.0
|
|
CG
|
A:ASP373
|
2.8
|
56.0
|
1.0
|
|
CG
|
A:ASP365
|
3.4
|
61.8
|
1.0
|
|
C
|
A:TYR371
|
3.4
|
60.4
|
1.0
|
|
CG
|
A:ASP369
|
3.5
|
65.0
|
1.0
|
|
CG
|
A:ASP367
|
3.6
|
61.3
|
1.0
|
|
OD2
|
A:ASP369
|
4.0
|
65.1
|
1.0
|
|
OD2
|
A:ASP367
|
4.0
|
62.7
|
1.0
|
|
N
|
A:LEU366
|
4.1
|
62.9
|
1.0
|
|
CA
|
A:ASP365
|
4.1
|
58.8
|
1.0
|
|
N
|
A:TYR371
|
4.1
|
65.5
|
1.0
|
|
OD2
|
A:ASP365
|
4.1
|
63.7
|
1.0
|
|
CA
|
A:TYR371
|
4.2
|
64.2
|
1.0
|
|
N
|
A:ASP367
|
4.2
|
63.0
|
1.0
|
|
CB
|
A:TYR371
|
4.3
|
64.7
|
1.0
|
|
CB
|
A:ASP365
|
4.3
|
61.0
|
1.0
|
|
CB
|
A:ASP373
|
4.3
|
54.8
|
1.0
|
|
C
|
A:ASP365
|
4.4
|
58.2
|
1.0
|
|
N
|
A:ASN372
|
4.4
|
59.8
|
1.0
|
|
C
|
A:ASN372
|
4.4
|
54.5
|
1.0
|
|
CD2
|
A:LEU393
|
4.5
|
52.3
|
1.0
|
|
N
|
A:ASP369
|
4.5
|
66.0
|
1.0
|
|
CA
|
A:ASN372
|
4.6
|
56.7
|
1.0
|
|
N
|
A:GLY394
|
4.6
|
54.2
|
1.0
|
|
O
|
A:ASN372
|
4.7
|
55.6
|
1.0
|
|
N
|
A:ARG368
|
4.7
|
61.9
|
1.0
|
|
N
|
A:ASP373
|
4.7
|
55.6
|
1.0
|
|
CB
|
A:ASP369
|
4.7
|
66.7
|
1.0
|
|
CB
|
A:ASP367
|
4.8
|
60.4
|
1.0
|
|
CA
|
A:ASP367
|
4.9
|
61.9
|
1.0
|
|
O
|
A:GLY394
|
4.9
|
59.5
|
1.0
|
|
CB
|
A:LEU393
|
4.9
|
57.9
|
1.0
|
|
Calcium binding site 4 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 4 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca506
b:56.5
occ:1.00
|
O
|
A:TYR432
|
2.3
|
56.4
|
1.0
|
|
OD1
|
A:ASP428
|
2.4
|
58.3
|
1.0
|
|
OD1
|
A:ASN430
|
2.4
|
57.2
|
1.0
|
|
OD1
|
A:ASP434
|
2.4
|
61.3
|
1.0
|
|
OD1
|
A:ASP426
|
2.4
|
58.3
|
1.0
|
|
OD2
|
A:ASP434
|
2.4
|
57.5
|
1.0
|
|
O
|
A:HOH606
|
2.4
|
52.7
|
1.0
|
|
CG
|
A:ASP434
|
2.7
|
58.6
|
1.0
|
|
CG
|
A:ASN430
|
3.3
|
60.3
|
1.0
|
|
CG
|
A:ASP428
|
3.4
|
59.5
|
1.0
|
|
C
|
A:TYR432
|
3.5
|
56.0
|
1.0
|
|
CG
|
A:ASP426
|
3.5
|
58.8
|
1.0
|
|
OD2
|
A:ASP428
|
3.7
|
57.1
|
1.0
|
|
ND2
|
A:ASN430
|
3.9
|
60.5
|
1.0
|
|
N
|
A:TYR432
|
4.1
|
59.4
|
1.0
|
|
O
|
A:ALA450
|
4.1
|
57.7
|
1.0
|
|
CA
|
A:TYR432
|
4.1
|
57.4
|
1.0
|
|
CA
|
A:ASP426
|
4.2
|
59.9
|
1.0
|
|
CB
|
A:ASP434
|
4.2
|
59.0
|
1.0
|
|
N
|
A:ILE427
|
4.2
|
57.5
|
1.0
|
|
CB
|
A:TYR432
|
4.2
|
56.7
|
1.0
|
|
N
|
A:ASN430
|
4.4
|
62.4
|
1.0
|
|
N
|
A:ASP428
|
4.4
|
62.1
|
1.0
|
|
OD2
|
A:ASP426
|
4.4
|
62.1
|
1.0
|
|
CB
|
A:ASP426
|
4.4
|
61.9
|
1.0
|
|
CB
|
A:ASN430
|
4.4
|
60.3
|
1.0
|
|
N
|
A:PRO433
|
4.5
|
54.5
|
1.0
|
|
N
|
A:ALA450
|
4.5
|
55.2
|
1.0
|
|
N
|
A:ASP434
|
4.6
|
53.8
|
1.0
|
|
C
|
A:ASP426
|
4.6
|
60.3
|
1.0
|
|
C
|
A:PRO433
|
4.6
|
54.1
|
1.0
|
|
CB
|
A:ASP428
|
4.7
|
62.5
|
1.0
|
|
CA
|
A:PRO433
|
4.7
|
53.7
|
1.0
|
|
N
|
A:ASP429
|
4.8
|
63.1
|
1.0
|
|
CA
|
A:ASN430
|
4.8
|
62.0
|
1.0
|
|
CA
|
A:ASP434
|
4.9
|
58.2
|
1.0
|
|
CA
|
A:ASP428
|
5.0
|
63.8
|
1.0
|
|
CB
|
A:ALA450
|
5.0
|
61.5
|
1.0
|
|
Calcium binding site 5 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 5 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2002
b:51.8
occ:1.00
|
O
|
B:PRO219
|
2.1
|
50.5
|
1.0
|
|
OD1
|
B:ASN215
|
2.3
|
54.4
|
1.0
|
|
OD2
|
B:ASP158
|
2.4
|
58.5
|
1.0
|
|
OD1
|
B:ASP217
|
2.4
|
52.9
|
1.0
|
|
OE1
|
B:GLU220
|
2.4
|
53.0
|
1.0
|
|
O
|
B:ASP217
|
2.5
|
58.6
|
1.0
|
|
C
|
B:PRO219
|
3.2
|
52.2
|
1.0
|
|
CG
|
B:ASP217
|
3.3
|
54.4
|
1.0
|
|
CG
|
B:ASN215
|
3.3
|
59.1
|
1.0
|
|
CD
|
B:GLU220
|
3.3
|
58.7
|
1.0
|
|
CG
|
B:ASP158
|
3.4
|
54.5
|
1.0
|
|
C
|
B:ASP217
|
3.5
|
55.6
|
1.0
|
|
CA
|
B:GLU220
|
3.7
|
49.5
|
1.0
|
|
CB
|
B:ASP158
|
3.7
|
56.8
|
1.0
|
|
ND2
|
B:ASN215
|
3.7
|
61.7
|
1.0
|
|
OD2
|
B:ASP217
|
3.9
|
49.8
|
1.0
|
|
N
|
B:GLU220
|
3.9
|
51.5
|
1.0
|
|
OE2
|
B:GLU220
|
4.0
|
60.3
|
1.0
|
|
C
|
B:ALA218
|
4.2
|
51.5
|
1.0
|
|
N
|
B:PRO219
|
4.2
|
53.7
|
1.0
|
|
O
|
B:ALA218
|
4.2
|
54.3
|
1.0
|
|
N
|
B:ASP217
|
4.2
|
57.5
|
1.0
|
|
CA
|
B:ASP217
|
4.2
|
61.2
|
1.0
|
|
NE2
|
B:HIS255
|
4.3
|
49.5
|
1.0
|
|
CA
|
B:PRO219
|
4.3
|
49.6
|
1.0
|
|
CG
|
B:GLU220
|
4.3
|
54.7
|
1.0
|
|
CB
|
B:ASP217
|
4.4
|
58.7
|
1.0
|
|
CB
|
B:GLU220
|
4.5
|
51.0
|
1.0
|
|
OD1
|
B:ASP158
|
4.5
|
50.5
|
1.0
|
|
N
|
B:ALA218
|
4.6
|
53.3
|
1.0
|
|
CD2
|
B:HIS255
|
4.6
|
49.2
|
1.0
|
|
CB
|
B:ASN215
|
4.7
|
53.4
|
1.0
|
|
C
|
B:GLU220
|
4.8
|
47.6
|
1.0
|
|
CA
|
B:ALA218
|
4.8
|
54.4
|
1.0
|
|
CB
|
B:TYR164
|
4.9
|
50.1
|
1.0
|
|
CD
|
B:PRO219
|
4.9
|
55.8
|
1.0
|
|
CD1
|
B:TYR164
|
5.0
|
47.5
|
1.0
|
|
Calcium binding site 6 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 6 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca506
b:111.7
occ:1.00
|
OE1
|
C:GLU252
|
2.4
|
106.8
|
1.0
|
|
OD1
|
C:ASP245
|
2.4
|
106.3
|
1.0
|
|
O
|
C:ASP247
|
2.4
|
110.6
|
1.0
|
|
OE2
|
C:GLU243
|
2.4
|
104.7
|
1.0
|
|
O
|
C:THR250
|
2.4
|
109.0
|
1.0
|
|
OG1
|
C:THR250
|
2.4
|
115.8
|
1.0
|
|
OE1
|
C:GLU243
|
2.5
|
106.1
|
1.0
|
|
OE2
|
C:GLU252
|
2.6
|
103.2
|
1.0
|
|
CD
|
C:GLU243
|
2.8
|
108.0
|
1.0
|
|
CD
|
C:GLU252
|
2.8
|
102.3
|
1.0
|
|
C
|
C:THR250
|
3.0
|
110.3
|
1.0
|
|
CG
|
C:ASP245
|
3.3
|
107.7
|
1.0
|
|
CB
|
C:THR250
|
3.5
|
116.9
|
1.0
|
|
C
|
C:ASP247
|
3.6
|
114.6
|
1.0
|
|
OD2
|
C:ASP245
|
3.6
|
107.1
|
1.0
|
|
CA
|
C:THR250
|
3.7
|
116.0
|
1.0
|
|
N
|
C:THR251
|
3.8
|
109.3
|
1.0
|
|
N
|
C:THR250
|
4.0
|
118.9
|
1.0
|
|
CA
|
C:THR251
|
4.0
|
107.3
|
1.0
|
|
CG
|
C:GLU243
|
4.2
|
111.7
|
1.0
|
|
CG
|
C:GLU252
|
4.3
|
104.8
|
1.0
|
|
C
|
C:THR251
|
4.4
|
104.4
|
1.0
|
|
CA
|
C:ASP247
|
4.4
|
120.2
|
1.0
|
|
N
|
C:ASP247
|
4.5
|
120.0
|
1.0
|
|
N
|
C:GLU252
|
4.5
|
96.9
|
1.0
|
|
N
|
C:LEU248
|
4.6
|
113.0
|
1.0
|
|
CB
|
C:ASP245
|
4.6
|
111.0
|
1.0
|
|
CB
|
C:ASP247
|
4.6
|
121.9
|
1.0
|
|
N
|
C:ASP245
|
4.6
|
111.5
|
1.0
|
|
CA
|
C:LEU248
|
4.7
|
113.0
|
1.0
|
|
CA
|
C:GLU243
|
4.7
|
103.3
|
1.0
|
|
CG2
|
C:THR250
|
4.8
|
118.0
|
1.0
|
|
N
|
C:PHE244
|
4.8
|
105.7
|
1.0
|
|
CB
|
C:GLU243
|
4.9
|
109.5
|
1.0
|
|
C
|
C:LEU248
|
4.9
|
114.5
|
1.0
|
|
Calcium binding site 7 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 7 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca507
b:91.5
occ:1.00
|
OD1
|
C:ASN299
|
2.3
|
93.0
|
1.0
|
|
OD1
|
C:ASP301
|
2.4
|
98.1
|
1.0
|
|
O
|
C:ARG303
|
2.4
|
100.0
|
1.0
|
|
OD1
|
C:ASP297
|
2.4
|
90.7
|
1.0
|
|
O
|
C:HOH602
|
2.4
|
93.0
|
1.0
|
|
OD1
|
C:ASP305
|
2.5
|
95.4
|
1.0
|
|
OD2
|
C:ASP305
|
2.5
|
96.2
|
1.0
|
|
CG
|
C:ASP305
|
2.8
|
93.4
|
1.0
|
|
CG
|
C:ASP301
|
3.2
|
102.3
|
1.0
|
|
CG
|
C:ASP297
|
3.4
|
90.9
|
1.0
|
|
CG
|
C:ASN299
|
3.4
|
92.3
|
1.0
|
|
OD2
|
C:ASP301
|
3.5
|
100.5
|
1.0
|
|
C
|
C:ARG303
|
3.6
|
100.0
|
1.0
|
|
ND2
|
C:ASN299
|
4.0
|
96.2
|
1.0
|
|
CA
|
C:ASP297
|
4.1
|
86.7
|
1.0
|
|
N
|
C:ARG303
|
4.1
|
99.8
|
1.0
|
|
CB
|
C:ASP297
|
4.1
|
93.9
|
1.0
|
|
CA
|
C:ARG303
|
4.2
|
102.1
|
1.0
|
|
CB
|
C:ASP305
|
4.2
|
89.8
|
1.0
|
|
N
|
C:ASN299
|
4.3
|
93.1
|
1.0
|
|
OD2
|
C:ASP297
|
4.3
|
89.5
|
1.0
|
|
N
|
C:VAL298
|
4.3
|
89.7
|
1.0
|
|
CB
|
C:ARG303
|
4.3
|
105.7
|
1.0
|
|
N
|
C:ASP305
|
4.4
|
89.8
|
1.0
|
|
C
|
C:ASP297
|
4.5
|
87.9
|
1.0
|
|
N
|
C:ASP301
|
4.5
|
97.4
|
1.0
|
|
C
|
C:HIS304
|
4.6
|
94.0
|
1.0
|
|
CB
|
C:ASP301
|
4.6
|
105.0
|
1.0
|
|
N
|
C:HIS304
|
4.6
|
98.2
|
1.0
|
|
CB
|
C:ASN299
|
4.6
|
91.8
|
1.0
|
|
CD2
|
C:LEU332
|
4.8
|
86.4
|
1.0
|
|
CA
|
C:ASN299
|
4.8
|
91.5
|
1.0
|
|
CA
|
C:ASP305
|
4.8
|
90.9
|
1.0
|
|
C
|
C:ASN299
|
4.9
|
92.1
|
1.0
|
|
N
|
C:GLY302
|
4.9
|
100.2
|
1.0
|
|
CA
|
C:HIS304
|
4.9
|
97.1
|
1.0
|
|
O
|
C:HIS304
|
4.9
|
96.6
|
1.0
|
|
CA
|
C:ASP301
|
4.9
|
102.7
|
1.0
|
|
N
|
C:GLY300
|
5.0
|
100.3
|
1.0
|
|
Calcium binding site 8 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 8 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca508
b:77.6
occ:1.00
|
O
|
C:TYR371
|
2.3
|
80.4
|
1.0
|
|
OD1
|
C:ASP367
|
2.4
|
84.0
|
1.0
|
|
OD1
|
C:ASP369
|
2.4
|
92.5
|
1.0
|
|
OD1
|
C:ASP365
|
2.4
|
84.7
|
1.0
|
|
OD2
|
C:ASP373
|
2.4
|
82.7
|
1.0
|
|
O
|
C:HOH615
|
2.5
|
78.1
|
1.0
|
|
OD1
|
C:ASP373
|
2.5
|
81.8
|
1.0
|
|
CG
|
C:ASP373
|
2.8
|
80.1
|
1.0
|
|
CG
|
C:ASP369
|
3.4
|
88.7
|
1.0
|
|
C
|
C:TYR371
|
3.5
|
85.0
|
1.0
|
|
CG
|
C:ASP365
|
3.5
|
87.6
|
1.0
|
|
CG
|
C:ASP367
|
3.6
|
86.1
|
1.0
|
|
OD2
|
C:ASP369
|
3.8
|
87.4
|
1.0
|
|
N
|
C:LEU366
|
3.8
|
81.2
|
1.0
|
|
OD2
|
C:ASP367
|
4.1
|
86.3
|
1.0
|
|
N
|
C:ASP367
|
4.1
|
88.7
|
1.0
|
|
CA
|
C:ASP365
|
4.1
|
83.0
|
1.0
|
|
N
|
C:TYR371
|
4.2
|
88.9
|
1.0
|
|
OD2
|
C:ASP365
|
4.2
|
89.2
|
1.0
|
|
CA
|
C:TYR371
|
4.2
|
85.2
|
1.0
|
|
CB
|
C:ASP373
|
4.3
|
77.1
|
1.0
|
|
C
|
C:ASP365
|
4.4
|
82.6
|
1.0
|
|
CB
|
C:TYR371
|
4.4
|
86.4
|
1.0
|
|
CB
|
C:ASP365
|
4.4
|
87.7
|
1.0
|
|
N
|
C:ASN372
|
4.5
|
85.6
|
1.0
|
|
N
|
C:GLY394
|
4.6
|
84.6
|
1.0
|
|
C
|
C:ASN372
|
4.6
|
77.3
|
1.0
|
|
N
|
C:ASP369
|
4.6
|
89.0
|
1.0
|
|
CA
|
C:ASN372
|
4.7
|
77.3
|
1.0
|
|
CB
|
C:ASP369
|
4.7
|
91.1
|
1.0
|
|
N
|
C:ASP373
|
4.7
|
82.4
|
1.0
|
|
N
|
C:ARG368
|
4.8
|
90.6
|
1.0
|
|
CA
|
C:LEU366
|
4.8
|
80.8
|
1.0
|
|
CB
|
C:ASP367
|
4.8
|
87.0
|
1.0
|
|
CD2
|
C:LEU393
|
4.8
|
83.9
|
1.0
|
|
CA
|
C:ASP367
|
4.9
|
87.1
|
1.0
|
|
O
|
C:ASN372
|
4.9
|
77.5
|
1.0
|
|
C
|
C:LEU366
|
5.0
|
81.9
|
1.0
|
|
CB
|
C:LEU366
|
5.0
|
83.6
|
1.0
|
|
Calcium binding site 9 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 9 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca509
b:70.2
occ:1.00
|
OD1
|
C:ASP426
|
2.3
|
76.8
|
1.0
|
|
OD1
|
C:ASP434
|
2.4
|
76.4
|
1.0
|
|
O
|
C:TYR432
|
2.4
|
74.5
|
1.0
|
|
OD1
|
C:ASP428
|
2.4
|
72.6
|
1.0
|
|
OD1
|
C:ASN430
|
2.4
|
78.0
|
1.0
|
|
OD2
|
C:ASP434
|
2.4
|
75.2
|
1.0
|
|
O
|
C:HOH608
|
2.4
|
72.2
|
1.0
|
|
CG
|
C:ASP434
|
2.7
|
72.7
|
1.0
|
|
CG
|
C:ASP426
|
3.3
|
81.1
|
1.0
|
|
CG
|
C:ASN430
|
3.3
|
79.0
|
1.0
|
|
C
|
C:TYR432
|
3.5
|
78.6
|
1.0
|
|
CG
|
C:ASP428
|
3.5
|
75.3
|
1.0
|
|
CA
|
C:ASP426
|
4.0
|
75.0
|
1.0
|
|
ND2
|
C:ASN430
|
4.0
|
81.7
|
1.0
|
|
CB
|
C:ASP426
|
4.1
|
82.2
|
1.0
|
|
OD2
|
C:ASP426
|
4.1
|
80.2
|
1.0
|
|
N
|
C:TYR432
|
4.1
|
84.7
|
1.0
|
|
OD2
|
C:ASP428
|
4.1
|
73.2
|
1.0
|
|
N
|
C:ILE427
|
4.2
|
73.5
|
1.0
|
|
CA
|
C:TYR432
|
4.2
|
80.4
|
1.0
|
|
CB
|
C:ASP434
|
4.2
|
68.4
|
1.0
|
|
N
|
C:ASP428
|
4.2
|
82.4
|
1.0
|
|
N
|
C:ASN430
|
4.2
|
84.6
|
1.0
|
|
CB
|
C:ASN430
|
4.3
|
78.0
|
1.0
|
|
CB
|
C:TYR432
|
4.3
|
81.9
|
1.0
|
|
C
|
C:ASP426
|
4.4
|
76.1
|
1.0
|
|
O
|
C:ALA450
|
4.4
|
74.4
|
1.0
|
|
N
|
C:ALA450
|
4.5
|
71.2
|
1.0
|
|
N
|
C:ASP434
|
4.5
|
71.1
|
1.0
|
|
N
|
C:PRO433
|
4.6
|
79.5
|
1.0
|
|
C
|
C:PRO433
|
4.6
|
71.3
|
1.0
|
|
N
|
C:ASP429
|
4.6
|
86.1
|
1.0
|
|
CB
|
C:ASP428
|
4.7
|
81.3
|
1.0
|
|
CA
|
C:ASN430
|
4.7
|
80.2
|
1.0
|
|
CA
|
C:PRO433
|
4.8
|
76.6
|
1.0
|
|
CA
|
C:ASP428
|
4.8
|
84.1
|
1.0
|
|
CB
|
C:ALA450
|
4.8
|
78.8
|
1.0
|
|
CA
|
C:ASP434
|
4.8
|
68.3
|
1.0
|
|
C
|
C:ASP428
|
4.9
|
85.0
|
1.0
|
|
C
|
C:ASN430
|
4.9
|
81.9
|
1.0
|
|
Calcium binding site 10 out
of 10 in 7udg
Go back to
Calcium Binding Sites List in 7udg
Calcium binding site 10 out
of 10 in the Integrin ALAPHIIBBETA3 Complex with Lotrafiban
 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 Lotrafiban within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca2002
b:72.8
occ:1.00
|
O
|
D:PRO219
|
2.2
|
73.3
|
1.0
|
|
OD1
|
D:ASN215
|
2.3
|
82.1
|
1.0
|
|
OD2
|
D:ASP158
|
2.4
|
80.6
|
1.0
|
|
OD1
|
D:ASP217
|
2.4
|
75.1
|
1.0
|
|
OE1
|
D:GLU220
|
2.4
|
76.8
|
1.0
|
|
O
|
D:ASP217
|
2.4
|
75.3
|
1.0
|
|
CG
|
D:ASP217
|
3.2
|
78.6
|
1.0
|
|
C
|
D:PRO219
|
3.3
|
73.1
|
1.0
|
|
CG
|
D:ASN215
|
3.3
|
85.0
|
1.0
|
|
CG
|
D:ASP158
|
3.4
|
76.7
|
1.0
|
|
C
|
D:ASP217
|
3.5
|
76.0
|
1.0
|
|
CD
|
D:GLU220
|
3.6
|
83.7
|
1.0
|
|
OD2
|
D:ASP217
|
3.6
|
75.6
|
1.0
|
|
ND2
|
D:ASN215
|
3.7
|
89.1
|
1.0
|
|
CA
|
D:GLU220
|
3.7
|
78.3
|
1.0
|
|
CB
|
D:ASP158
|
3.8
|
77.6
|
1.0
|
|
N
|
D:GLU220
|
3.9
|
79.3
|
1.0
|
|
O
|
D:ALA218
|
4.1
|
75.9
|
1.0
|
|
C
|
D:ALA218
|
4.2
|
78.1
|
1.0
|
|
CA
|
D:ASP217
|
4.2
|
81.5
|
1.0
|
|
N
|
D:ASP217
|
4.2
|
80.4
|
1.0
|
|
NE2
|
D:HIS255
|
4.2
|
76.0
|
1.0
|
|
CB
|
D:ASP217
|
4.2
|
86.6
|
1.0
|
|
N
|
D:PRO219
|
4.3
|
79.0
|
1.0
|
|
CA
|
D:PRO219
|
4.4
|
75.2
|
1.0
|
|
OE2
|
D:GLU220
|
4.4
|
86.2
|
1.0
|
|
CG
|
D:GLU220
|
4.4
|
85.8
|
1.0
|
|
CB
|
D:GLU220
|
4.5
|
76.8
|
1.0
|
|
N
|
D:ALA218
|
4.5
|
75.9
|
1.0
|
|
CD2
|
D:HIS255
|
4.5
|
71.0
|
1.0
|
|
OD1
|
D:ASP158
|
4.5
|
74.2
|
1.0
|
|
CB
|
D:ASN215
|
4.6
|
86.8
|
1.0
|
|
C
|
D:GLU220
|
4.8
|
75.7
|
1.0
|
|
CA
|
D:ALA218
|
4.8
|
78.7
|
1.0
|
|
CD
|
D:PRO219
|
4.8
|
87.1
|
1.0
|
|
CD1
|
D:TYR164
|
5.0
|
76.7
|
1.0
|
|
Reference:
J.Zhu,
F.-Y.Lin,
J.Zhu,
T.A.Springer.
Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with BMS4-1 To Be Published.
Page generated: Fri Jul 19 04:48:33 2024
|
