Calcium in PDB 1tye: Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Protein crystallography data
The structure of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen, PDB code: 1tye
was solved by
T.Xiao,
J.Takagi,
B.S.Coller,
J.-H.Wang,
T.A.Springer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.90
|
Space group
|
P 62
|
Cell size a, b, c (Å), α, β, γ (°)
|
332.093,
332.093,
88.288,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
21.9 /
25.4
|
Other elements in 1tye:
The structure of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Calcium atom in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
(pdb code 1tye). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 18 binding sites of Calcium where determined in the
Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen, PDB code: 1tye:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 1 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1404
b:61.7
occ:1.00
|
O
|
A:THR250
|
2.0
|
72.0
|
1.0
|
O
|
A:ASP247
|
2.1
|
83.2
|
1.0
|
OE2
|
A:GLU252
|
2.3
|
62.1
|
1.0
|
OD1
|
A:ASP245
|
2.3
|
67.9
|
1.0
|
OE2
|
A:GLU243
|
2.5
|
62.6
|
1.0
|
OG1
|
A:THR250
|
2.6
|
67.8
|
1.0
|
OE1
|
A:GLU243
|
2.6
|
62.6
|
1.0
|
CD
|
A:GLU243
|
2.9
|
62.2
|
1.0
|
C
|
A:THR250
|
3.0
|
71.9
|
1.0
|
CD
|
A:GLU252
|
3.1
|
62.4
|
1.0
|
C
|
A:ASP247
|
3.2
|
83.1
|
1.0
|
OE1
|
A:GLU252
|
3.2
|
62.8
|
1.0
|
CG
|
A:ASP245
|
3.3
|
68.9
|
1.0
|
CA
|
A:THR250
|
3.6
|
72.8
|
1.0
|
CB
|
A:THR250
|
3.6
|
71.7
|
1.0
|
OD2
|
A:ASP245
|
3.7
|
70.2
|
1.0
|
N
|
A:THR250
|
3.8
|
77.2
|
1.0
|
CA
|
A:ASP247
|
3.9
|
82.2
|
1.0
|
N
|
A:ASP247
|
4.0
|
80.8
|
1.0
|
N
|
A:THR251
|
4.0
|
69.9
|
1.0
|
CB
|
A:ASP247
|
4.0
|
82.7
|
1.0
|
N
|
A:LEU248
|
4.2
|
83.8
|
1.0
|
CA
|
A:THR251
|
4.4
|
66.9
|
1.0
|
CG
|
A:GLU243
|
4.4
|
60.4
|
1.0
|
N
|
A:ASP245
|
4.5
|
66.0
|
1.0
|
CG
|
A:GLU252
|
4.5
|
61.0
|
1.0
|
CA
|
A:LEU248
|
4.5
|
84.0
|
1.0
|
CB
|
A:ASP245
|
4.6
|
68.8
|
1.0
|
C
|
A:THR251
|
4.7
|
64.4
|
1.0
|
CG
|
A:ASP247
|
4.8
|
84.3
|
1.0
|
N
|
A:GLY246
|
4.8
|
75.2
|
1.0
|
C
|
A:LEU248
|
4.8
|
83.2
|
1.0
|
N
|
A:PHE244
|
4.8
|
59.5
|
1.0
|
CG2
|
A:THR250
|
4.8
|
69.9
|
1.0
|
C
|
A:GLY246
|
4.9
|
79.9
|
1.0
|
N
|
A:ASN249
|
4.9
|
82.4
|
1.0
|
CA
|
A:GLU243
|
4.9
|
58.4
|
1.0
|
CA
|
A:ASP245
|
4.9
|
69.5
|
1.0
|
C
|
A:ASP245
|
5.0
|
72.6
|
1.0
|
N
|
A:GLU252
|
5.0
|
60.4
|
1.0
|
|
Calcium binding site 2 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 2 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1405
b:75.4
occ:1.00
|
OD1
|
A:ASP301
|
2.4
|
74.6
|
1.0
|
OD2
|
A:ASP305
|
2.4
|
64.1
|
1.0
|
OD1
|
A:ASP297
|
2.4
|
66.8
|
1.0
|
O
|
A:ARG303
|
2.4
|
69.6
|
1.0
|
OD1
|
A:ASP305
|
2.5
|
65.5
|
1.0
|
OD1
|
A:ASN299
|
2.7
|
53.6
|
1.0
|
CG
|
A:ASP305
|
2.7
|
65.1
|
1.0
|
CG
|
A:ASP301
|
3.1
|
71.9
|
1.0
|
OD2
|
A:ASP301
|
3.2
|
72.6
|
1.0
|
CG
|
A:ASP297
|
3.3
|
66.2
|
1.0
|
CG
|
A:ASN299
|
3.6
|
54.8
|
1.0
|
C
|
A:ARG303
|
3.6
|
69.1
|
1.0
|
ND2
|
A:ASN299
|
3.9
|
54.0
|
1.0
|
NH2
|
A:ARG335
|
3.9
|
98.0
|
1.0
|
OD2
|
A:ASP297
|
4.0
|
63.8
|
1.0
|
CA
|
A:ASP297
|
4.2
|
63.2
|
1.0
|
CB
|
A:ASP305
|
4.2
|
63.8
|
1.0
|
CB
|
A:ASP297
|
4.3
|
64.4
|
1.0
|
N
|
A:ARG303
|
4.3
|
69.7
|
1.0
|
CA
|
A:ARG303
|
4.3
|
70.7
|
1.0
|
N
|
A:ASP305
|
4.4
|
61.1
|
1.0
|
CB
|
A:ARG303
|
4.5
|
73.2
|
1.0
|
N
|
A:ASN299
|
4.5
|
58.9
|
1.0
|
C
|
A:HIS304
|
4.5
|
61.9
|
1.0
|
CB
|
A:ASP301
|
4.5
|
67.7
|
1.0
|
N
|
A:VAL298
|
4.5
|
60.6
|
1.0
|
N
|
A:ASP301
|
4.6
|
61.7
|
1.0
|
N
|
A:HIS304
|
4.6
|
66.6
|
1.0
|
C
|
A:ASP297
|
4.6
|
62.4
|
1.0
|
CA
|
A:ASP305
|
4.8
|
61.7
|
1.0
|
O
|
A:HIS304
|
4.8
|
60.7
|
1.0
|
N
|
A:GLN333
|
4.8
|
62.6
|
1.0
|
CB
|
A:ASN299
|
4.8
|
55.7
|
1.0
|
CA
|
A:HIS304
|
4.9
|
63.5
|
1.0
|
CA
|
A:ASP301
|
4.9
|
64.0
|
1.0
|
CD2
|
A:LEU332
|
5.0
|
59.0
|
1.0
|
|
Calcium binding site 3 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 3 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1406
b:73.5
occ:1.00
|
OD1
|
A:ASP365
|
2.1
|
74.9
|
1.0
|
OD1
|
A:ASP367
|
2.1
|
78.8
|
1.0
|
O
|
A:TYR371
|
2.1
|
68.8
|
1.0
|
OD1
|
A:ASP373
|
2.6
|
70.8
|
1.0
|
OD1
|
A:ASP369
|
2.7
|
77.1
|
1.0
|
OD2
|
A:ASP373
|
2.8
|
68.8
|
1.0
|
CG
|
A:ASP373
|
3.0
|
67.0
|
1.0
|
CG
|
A:ASP367
|
3.2
|
78.7
|
1.0
|
CG
|
A:ASP365
|
3.3
|
75.0
|
1.0
|
C
|
A:TYR371
|
3.3
|
69.0
|
1.0
|
CG
|
A:ASP369
|
3.8
|
76.3
|
1.0
|
OD2
|
A:ASP367
|
3.8
|
79.0
|
1.0
|
CA
|
A:ASP365
|
3.9
|
72.1
|
1.0
|
N
|
A:ASP367
|
4.0
|
75.7
|
1.0
|
N
|
A:LEU366
|
4.0
|
70.4
|
1.0
|
N
|
A:TYR371
|
4.0
|
71.5
|
1.0
|
C
|
A:ASP365
|
4.0
|
71.3
|
1.0
|
CA
|
A:TYR371
|
4.1
|
70.7
|
1.0
|
OD2
|
A:ASP365
|
4.1
|
75.3
|
1.0
|
CB
|
A:ASP365
|
4.2
|
73.7
|
1.0
|
N
|
A:ARG368
|
4.2
|
77.0
|
1.0
|
N
|
A:ASP369
|
4.3
|
76.8
|
1.0
|
N
|
A:ASN372
|
4.3
|
65.8
|
1.0
|
CB
|
A:TYR371
|
4.3
|
73.6
|
1.0
|
OD2
|
A:ASP369
|
4.4
|
74.7
|
1.0
|
C
|
A:ASN372
|
4.5
|
59.9
|
1.0
|
CB
|
A:ASP367
|
4.5
|
77.6
|
1.0
|
CA
|
A:ASN372
|
4.5
|
60.8
|
1.0
|
N
|
A:ASP373
|
4.5
|
59.5
|
1.0
|
CB
|
A:ASP373
|
4.5
|
63.0
|
1.0
|
CA
|
A:ASP367
|
4.5
|
76.6
|
1.0
|
C
|
A:ASP367
|
4.7
|
76.8
|
1.0
|
CA
|
A:LEU366
|
4.8
|
71.0
|
1.0
|
C
|
A:LEU366
|
4.8
|
73.6
|
1.0
|
CB
|
A:ASP369
|
4.8
|
76.2
|
1.0
|
N
|
A:GLY394
|
4.8
|
68.4
|
1.0
|
O
|
A:ASP365
|
4.8
|
71.1
|
1.0
|
N
|
A:GLY370
|
4.9
|
74.1
|
1.0
|
O
|
A:ASN372
|
4.9
|
59.2
|
1.0
|
CA
|
A:ASP369
|
4.9
|
75.8
|
1.0
|
|
Calcium binding site 4 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 4 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1407
b:68.9
occ:1.00
|
O
|
A:TYR432
|
2.1
|
84.3
|
1.0
|
OD1
|
A:ASP428
|
2.2
|
82.6
|
1.0
|
OD1
|
A:ASN430
|
2.3
|
92.6
|
1.0
|
OD2
|
A:ASP434
|
2.6
|
81.4
|
1.0
|
OD1
|
A:ASP426
|
2.7
|
68.8
|
1.0
|
OD1
|
A:ASP434
|
2.7
|
81.7
|
1.0
|
CG
|
A:ASP434
|
3.0
|
80.9
|
1.0
|
CG
|
A:ASP428
|
3.0
|
83.2
|
1.0
|
OD2
|
A:ASP428
|
3.1
|
83.1
|
1.0
|
C
|
A:TYR432
|
3.2
|
84.7
|
1.0
|
CG
|
A:ASN430
|
3.3
|
89.5
|
1.0
|
ND2
|
A:ASN430
|
3.8
|
89.4
|
1.0
|
CG
|
A:ASP426
|
3.9
|
71.1
|
1.0
|
CA
|
A:TYR432
|
3.9
|
85.8
|
1.0
|
N
|
A:TYR432
|
4.0
|
85.9
|
1.0
|
CB
|
A:TYR432
|
4.0
|
87.5
|
1.0
|
O
|
A:ALA450
|
4.1
|
98.0
|
1.0
|
N
|
A:ASN430
|
4.2
|
86.6
|
1.0
|
CB
|
A:ALA450
|
4.3
|
91.7
|
1.0
|
N
|
A:PRO433
|
4.3
|
83.7
|
1.0
|
CA
|
A:ASP426
|
4.3
|
69.5
|
1.0
|
N
|
A:ASP428
|
4.4
|
80.6
|
1.0
|
C
|
A:PRO433
|
4.4
|
79.7
|
1.0
|
CB
|
A:ASP428
|
4.4
|
81.8
|
1.0
|
CB
|
A:ASN430
|
4.4
|
87.6
|
1.0
|
N
|
A:ALA450
|
4.4
|
86.9
|
1.0
|
CB
|
A:ASP434
|
4.4
|
78.3
|
1.0
|
N
|
A:ILE427
|
4.4
|
72.2
|
1.0
|
N
|
A:ASP434
|
4.6
|
78.4
|
1.0
|
O
|
A:PRO433
|
4.6
|
79.6
|
1.0
|
N
|
A:ASP429
|
4.6
|
85.6
|
1.0
|
CB
|
A:ASP426
|
4.7
|
70.4
|
1.0
|
CA
|
A:PRO433
|
4.7
|
81.8
|
1.0
|
C
|
A:ASP426
|
4.7
|
70.7
|
1.0
|
CA
|
A:ASN430
|
4.7
|
86.4
|
1.0
|
OD2
|
A:ASP426
|
4.8
|
70.4
|
1.0
|
CA
|
A:ALA450
|
4.8
|
92.7
|
1.0
|
C
|
A:ALA450
|
4.8
|
96.9
|
1.0
|
CA
|
A:ASP428
|
4.8
|
82.1
|
1.0
|
C
|
A:ASN430
|
4.9
|
86.4
|
1.0
|
CA
|
A:ASP434
|
5.0
|
76.2
|
1.0
|
|
Calcium binding site 5 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 5 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1402
b:49.0
occ:1.00
|
OD1
|
B:ASP127
|
2.2
|
44.8
|
1.0
|
O
|
B:HOH1406
|
2.3
|
29.0
|
1.0
|
O
|
B:SER123
|
2.4
|
36.4
|
1.0
|
OD2
|
B:ASP251
|
2.7
|
41.3
|
1.0
|
OD1
|
B:ASP126
|
2.7
|
66.4
|
1.0
|
OD2
|
B:ASP126
|
3.1
|
68.0
|
1.0
|
CG
|
B:ASP127
|
3.1
|
46.9
|
1.0
|
CG
|
B:ASP126
|
3.2
|
66.0
|
1.0
|
OD2
|
B:ASP127
|
3.3
|
46.5
|
1.0
|
CG
|
B:ASP251
|
3.5
|
39.5
|
1.0
|
C
|
B:SER123
|
3.6
|
39.4
|
1.0
|
CB
|
B:ASP251
|
3.9
|
39.7
|
1.0
|
OD1
|
B:ASP251
|
4.4
|
39.2
|
1.0
|
N
|
B:MET124
|
4.5
|
41.8
|
1.0
|
CB
|
B:ASP127
|
4.5
|
47.5
|
1.0
|
CA
|
B:MET124
|
4.5
|
46.5
|
1.0
|
CA
|
B:SER123
|
4.5
|
39.6
|
1.0
|
CB
|
B:SER123
|
4.6
|
39.4
|
1.0
|
CB
|
B:ASP126
|
4.7
|
60.1
|
1.0
|
N
|
B:ASP127
|
4.7
|
50.5
|
1.0
|
C
|
B:MET124
|
4.9
|
48.6
|
1.0
|
N
|
B:ASP126
|
5.0
|
54.1
|
1.0
|
|
Calcium binding site 6 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 6 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1403
b:28.1
occ:1.00
|
OD1
|
B:ASN215
|
1.9
|
42.0
|
1.0
|
O
|
B:PRO219
|
2.0
|
35.8
|
1.0
|
OD2
|
B:ASP158
|
2.0
|
26.1
|
1.0
|
OD1
|
B:ASP217
|
2.2
|
41.1
|
1.0
|
O
|
B:ASP217
|
2.2
|
31.5
|
1.0
|
OE2
|
B:GLU220
|
2.3
|
37.0
|
1.0
|
CG
|
B:ASN215
|
3.1
|
39.1
|
1.0
|
CG
|
B:ASP217
|
3.1
|
40.4
|
1.0
|
C
|
B:PRO219
|
3.2
|
35.0
|
1.0
|
CG
|
B:ASP158
|
3.2
|
32.9
|
1.0
|
C
|
B:ASP217
|
3.3
|
33.6
|
1.0
|
CD
|
B:GLU220
|
3.4
|
36.7
|
1.0
|
CA
|
B:GLU220
|
3.7
|
37.5
|
1.0
|
ND2
|
B:ASN215
|
3.8
|
42.9
|
1.0
|
OD2
|
B:ASP217
|
3.8
|
40.7
|
1.0
|
N
|
B:GLU220
|
3.9
|
34.4
|
1.0
|
CB
|
B:ASP158
|
3.9
|
33.8
|
1.0
|
CA
|
B:ASP217
|
4.0
|
33.5
|
1.0
|
C1
|
B:CAC1301
|
4.0
|
0.8
|
1.0
|
OE1
|
B:GLU220
|
4.0
|
36.1
|
1.0
|
N
|
B:ASP217
|
4.1
|
32.7
|
1.0
|
C
|
B:ALA218
|
4.1
|
36.3
|
1.0
|
CB
|
B:ASP217
|
4.1
|
36.5
|
1.0
|
N
|
B:PRO219
|
4.2
|
36.0
|
1.0
|
O
|
B:ALA218
|
4.2
|
39.6
|
1.0
|
OD1
|
B:ASP158
|
4.2
|
31.7
|
1.0
|
NE2
|
B:HIS255
|
4.2
|
42.3
|
1.0
|
CB
|
B:ASN215
|
4.3
|
35.9
|
1.0
|
CA
|
B:PRO219
|
4.3
|
35.7
|
1.0
|
CG
|
B:GLU220
|
4.3
|
36.8
|
1.0
|
CB
|
B:GLU220
|
4.4
|
37.2
|
1.0
|
N
|
B:ALA218
|
4.4
|
34.1
|
1.0
|
CD2
|
B:HIS255
|
4.5
|
41.7
|
1.0
|
CA
|
B:ALA218
|
4.7
|
34.7
|
1.0
|
CD
|
B:PRO219
|
4.8
|
34.0
|
1.0
|
O
|
B:VAL157
|
4.9
|
38.8
|
1.0
|
C
|
B:GLU220
|
4.9
|
38.7
|
1.0
|
|
Calcium binding site 7 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 7 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1411
b:58.7
occ:1.00
|
OD1
|
C:ASP245
|
2.1
|
70.0
|
1.0
|
O
|
C:ASP247
|
2.1
|
72.3
|
1.0
|
OE2
|
C:GLU243
|
2.2
|
53.0
|
1.0
|
OE2
|
C:GLU252
|
2.2
|
54.9
|
1.0
|
O
|
C:THR250
|
2.5
|
62.5
|
1.0
|
OG1
|
C:THR250
|
2.7
|
62.3
|
1.0
|
OE1
|
C:GLU243
|
2.7
|
52.1
|
1.0
|
CD
|
C:GLU243
|
2.8
|
52.7
|
1.0
|
CD
|
C:GLU252
|
3.1
|
54.1
|
1.0
|
CG
|
C:ASP245
|
3.2
|
68.7
|
1.0
|
C
|
C:ASP247
|
3.3
|
72.4
|
1.0
|
C
|
C:THR250
|
3.3
|
62.2
|
1.0
|
OE1
|
C:GLU252
|
3.4
|
54.0
|
1.0
|
OD2
|
C:ASP245
|
3.7
|
69.1
|
1.0
|
CB
|
C:THR250
|
3.8
|
62.4
|
1.0
|
CA
|
C:THR250
|
3.9
|
63.2
|
1.0
|
N
|
C:ASP247
|
4.0
|
73.1
|
1.0
|
CA
|
C:ASP247
|
4.0
|
72.7
|
1.0
|
N
|
C:THR250
|
4.1
|
65.9
|
1.0
|
N
|
C:ASP245
|
4.1
|
61.8
|
1.0
|
CB
|
C:ASP247
|
4.2
|
73.6
|
1.0
|
CG
|
C:GLU243
|
4.3
|
51.8
|
1.0
|
N
|
C:LEU248
|
4.3
|
72.1
|
1.0
|
N
|
C:THR251
|
4.3
|
60.8
|
1.0
|
CB
|
C:ASP245
|
4.4
|
66.4
|
1.0
|
CG
|
C:GLU252
|
4.5
|
52.4
|
1.0
|
CA
|
C:LEU248
|
4.5
|
72.5
|
1.0
|
CA
|
C:ASP245
|
4.5
|
65.3
|
1.0
|
N
|
C:GLY246
|
4.5
|
68.7
|
1.0
|
C
|
C:ASP245
|
4.5
|
67.0
|
1.0
|
N
|
C:PHE244
|
4.6
|
52.5
|
1.0
|
C
|
C:GLY246
|
4.6
|
72.8
|
1.0
|
CA
|
C:THR251
|
4.6
|
59.0
|
1.0
|
CA
|
C:GLU243
|
4.8
|
51.5
|
1.0
|
C
|
C:LEU248
|
4.8
|
71.2
|
1.0
|
C
|
C:THR251
|
5.0
|
56.1
|
1.0
|
|
Calcium binding site 8 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 8 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1412
b:46.3
occ:1.00
|
OD1
|
C:ASP301
|
2.2
|
73.1
|
1.0
|
OD1
|
C:ASN299
|
2.2
|
65.6
|
1.0
|
OD2
|
C:ASP305
|
2.2
|
47.9
|
1.0
|
OD1
|
C:ASP297
|
2.4
|
64.5
|
1.0
|
O
|
C:ARG303
|
2.4
|
63.4
|
1.0
|
OD1
|
C:ASP305
|
2.4
|
49.2
|
1.0
|
CG
|
C:ASP305
|
2.6
|
51.0
|
1.0
|
CG
|
C:ASP301
|
3.0
|
72.5
|
1.0
|
OD2
|
C:ASP301
|
3.1
|
74.6
|
1.0
|
CG
|
C:ASN299
|
3.2
|
64.3
|
1.0
|
C
|
C:ARG303
|
3.4
|
63.2
|
1.0
|
CG
|
C:ASP297
|
3.4
|
65.7
|
1.0
|
ND2
|
C:ASN299
|
3.5
|
63.0
|
1.0
|
CB
|
C:ARG303
|
3.8
|
65.7
|
1.0
|
CA
|
C:ARG303
|
3.9
|
64.5
|
1.0
|
N
|
C:ARG303
|
4.0
|
66.1
|
1.0
|
CB
|
C:ASP305
|
4.1
|
51.5
|
1.0
|
OD2
|
C:ASP297
|
4.2
|
66.6
|
1.0
|
CB
|
C:ASP297
|
4.2
|
63.9
|
1.0
|
CA
|
C:ASP297
|
4.2
|
63.3
|
1.0
|
C
|
C:HIS304
|
4.3
|
56.4
|
1.0
|
N
|
C:ASN299
|
4.4
|
62.7
|
1.0
|
N
|
C:ASP305
|
4.4
|
54.0
|
1.0
|
CB
|
C:ASP301
|
4.4
|
70.5
|
1.0
|
N
|
C:HIS304
|
4.4
|
61.2
|
1.0
|
O
|
C:GLN333
|
4.5
|
63.7
|
1.0
|
N
|
C:VAL298
|
4.5
|
63.2
|
1.0
|
O
|
C:HIS304
|
4.5
|
55.8
|
1.0
|
CB
|
C:ASN299
|
4.5
|
63.7
|
1.0
|
N
|
C:ASP301
|
4.6
|
67.4
|
1.0
|
CA
|
C:ASP305
|
4.7
|
52.8
|
1.0
|
C
|
C:ASP297
|
4.7
|
63.6
|
1.0
|
CA
|
C:HIS304
|
4.8
|
58.4
|
1.0
|
N
|
C:GLN333
|
4.8
|
60.1
|
1.0
|
CA
|
C:ASN299
|
4.9
|
64.6
|
1.0
|
N
|
C:GLY302
|
4.9
|
68.5
|
1.0
|
CA
|
C:ASP301
|
4.9
|
68.7
|
1.0
|
CD2
|
C:LEU332
|
4.9
|
52.3
|
1.0
|
|
Calcium binding site 9 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 9 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1413
b:70.0
occ:1.00
|
O
|
C:TYR371
|
2.1
|
69.2
|
1.0
|
OD1
|
C:ASP367
|
2.2
|
85.1
|
1.0
|
OD1
|
C:ASP365
|
2.3
|
82.2
|
1.0
|
OD1
|
C:ASP373
|
2.6
|
67.2
|
1.0
|
OD2
|
C:ASP373
|
2.6
|
66.2
|
1.0
|
OD1
|
C:ASP369
|
2.7
|
89.2
|
1.0
|
CG
|
C:ASP373
|
2.9
|
65.8
|
1.0
|
CG
|
C:ASP365
|
3.3
|
80.3
|
1.0
|
C
|
C:TYR371
|
3.3
|
70.0
|
1.0
|
CG
|
C:ASP367
|
3.4
|
84.4
|
1.0
|
CG
|
C:ASP369
|
3.8
|
87.6
|
1.0
|
OD2
|
C:ASP367
|
3.9
|
83.5
|
1.0
|
OD2
|
C:ASP365
|
4.0
|
78.7
|
1.0
|
CA
|
C:ASP365
|
4.0
|
78.3
|
1.0
|
N
|
C:ASP367
|
4.0
|
83.7
|
1.0
|
N
|
C:TYR371
|
4.1
|
73.5
|
1.0
|
N
|
C:LEU366
|
4.1
|
80.4
|
1.0
|
CA
|
C:TYR371
|
4.1
|
71.1
|
1.0
|
CB
|
C:ASP365
|
4.2
|
79.2
|
1.0
|
N
|
C:ASN372
|
4.3
|
68.4
|
1.0
|
C
|
C:ASP365
|
4.3
|
79.1
|
1.0
|
CB
|
C:TYR371
|
4.3
|
71.9
|
1.0
|
N
|
C:ASP373
|
4.3
|
63.1
|
1.0
|
C
|
C:ASN372
|
4.4
|
65.1
|
1.0
|
CB
|
C:ASP373
|
4.4
|
63.9
|
1.0
|
CA
|
C:ASN372
|
4.4
|
66.5
|
1.0
|
N
|
C:ASP369
|
4.4
|
81.8
|
1.0
|
OD2
|
C:ASP369
|
4.5
|
88.4
|
1.0
|
N
|
C:ARG368
|
4.5
|
82.6
|
1.0
|
CB
|
C:ASP367
|
4.6
|
84.1
|
1.0
|
N
|
C:GLY394
|
4.6
|
62.8
|
1.0
|
CA
|
C:ASP367
|
4.6
|
83.7
|
1.0
|
C
|
C:ASP367
|
4.8
|
83.0
|
1.0
|
O
|
C:ASN372
|
4.9
|
65.5
|
1.0
|
CB
|
C:ASP369
|
4.9
|
84.5
|
1.0
|
CA
|
C:ASP373
|
4.9
|
61.8
|
1.0
|
N
|
C:GLY370
|
5.0
|
79.3
|
1.0
|
C
|
C:LEU366
|
5.0
|
83.1
|
1.0
|
CA
|
C:LEU366
|
5.0
|
81.7
|
1.0
|
|
Calcium binding site 10 out
of 18 in 1tye
Go back to
Calcium Binding Sites List in 1tye
Calcium binding site 10 out
of 18 in the Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Structural Basis For Allostery in Integrins and Binding of Ligand- Mimetic Therapeutics to the Platelet Receptor For Fibrinogen within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca1414
b:68.4
occ:1.00
|
O
|
C:TYR432
|
2.0
|
81.8
|
1.0
|
OD1
|
C:ASP428
|
2.2
|
70.4
|
1.0
|
OD1
|
C:ASN430
|
2.3
|
86.5
|
1.0
|
OD1
|
C:ASP426
|
2.5
|
71.5
|
1.0
|
OD2
|
C:ASP434
|
2.7
|
72.7
|
1.0
|
OD1
|
C:ASP434
|
2.7
|
73.4
|
1.0
|
CG
|
C:ASP434
|
3.0
|
71.9
|
1.0
|
C
|
C:TYR432
|
3.2
|
82.1
|
1.0
|
CG
|
C:ASP428
|
3.2
|
72.5
|
1.0
|
CG
|
C:ASN430
|
3.3
|
84.0
|
1.0
|
CG
|
C:ASP426
|
3.5
|
71.4
|
1.0
|
OD2
|
C:ASP428
|
3.6
|
72.7
|
1.0
|
ND2
|
C:ASN430
|
3.8
|
83.7
|
1.0
|
CA
|
C:TYR432
|
3.9
|
84.4
|
1.0
|
CB
|
C:TYR432
|
3.9
|
88.1
|
1.0
|
N
|
C:TYR432
|
4.0
|
84.5
|
1.0
|
N
|
C:PRO433
|
4.2
|
79.5
|
1.0
|
OD2
|
C:ASP426
|
4.2
|
71.4
|
1.0
|
CA
|
C:ASP426
|
4.2
|
65.9
|
1.0
|
C
|
C:PRO433
|
4.3
|
74.2
|
1.0
|
O
|
C:PRO433
|
4.4
|
74.5
|
1.0
|
N
|
C:ASP428
|
4.4
|
73.5
|
1.0
|
CB
|
C:ASP426
|
4.4
|
69.6
|
1.0
|
CB
|
C:ASP434
|
4.4
|
70.2
|
1.0
|
N
|
C:ILE427
|
4.5
|
66.9
|
1.0
|
N
|
C:ASN430
|
4.5
|
81.8
|
1.0
|
N
|
C:ASP434
|
4.5
|
71.3
|
1.0
|
CA
|
C:PRO433
|
4.5
|
76.8
|
1.0
|
CB
|
C:ASP428
|
4.5
|
73.0
|
1.0
|
CB
|
C:ASN430
|
4.6
|
82.5
|
1.0
|
N
|
C:ASP429
|
4.6
|
79.6
|
1.0
|
CB
|
C:ALA450
|
4.7
|
89.2
|
1.0
|
C
|
C:ASP426
|
4.7
|
66.3
|
1.0
|
N
|
C:ALA450
|
4.8
|
85.0
|
1.0
|
CA
|
C:ASP428
|
4.9
|
75.1
|
1.0
|
CA
|
C:ASN430
|
4.9
|
82.0
|
1.0
|
CA
|
C:ASP434
|
5.0
|
68.6
|
1.0
|
|
Reference:
T.Xiao,
J.Takagi,
B.S.Coller,
J.-H.Wang,
T.A.Springer.
Structural Basis For Allostery in Integrins and Binding to Fibrinogen-Mimetic Therapeutics Nature V. 432 59 2004.
ISSN: ISSN 0028-0836
PubMed: 15378069
DOI: 10.1038/NATURE02976
Page generated: Thu Jul 11 23:13:00 2024
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