Calcium in PDB 7u60: Integrin ALAPHIIBBETA3 Complex with Crgdfv

Protein crystallography data

The structure of Integrin ALAPHIIBBETA3 Complex with Crgdfv, PDB code: 7u60 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) 48.60 / 2.55
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 260.89, 145.77, 105.16, 90, 90, 90
R / Rfree (%) 18.8 / 22.5

Other elements in 7u60:

The structure of Integrin ALAPHIIBBETA3 Complex with Crgdfv also contains other interesting chemical elements:

Manganese (Mn) 6 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Integrin ALAPHIIBBETA3 Complex with Crgdfv (pdb code 7u60). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Integrin ALAPHIIBBETA3 Complex with Crgdfv, PDB code: 7u60:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 7u60

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Calcium binding site 1 out of 8 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:32.7
occ:1.00
OD1 A:ASP245 2.3 36.5 1.0
O A:THR250 2.3 41.6 1.0
OE2 A:GLU252 2.4 38.8 1.0
O A:ASP247 2.4 44.7 1.0
OE1 A:GLU243 2.4 29.9 1.0
OE2 A:GLU243 2.4 30.2 1.0
OE1 A:GLU252 2.5 29.4 1.0
OG1 A:THR250 2.5 45.4 1.0
CD A:GLU243 2.7 28.2 1.0
CD A:GLU252 2.8 36.4 1.0
CG A:ASP245 3.2 36.7 1.0
C A:THR250 3.2 45.6 1.0
C A:ASP247 3.5 46.2 1.0
OD2 A:ASP245 3.5 49.3 1.0
CB A:THR250 3.6 42.6 1.0
CA A:THR250 3.8 42.1 1.0
N A:THR250 4.0 56.4 1.0
N A:ASP247 4.1 54.1 1.0
CG A:GLU243 4.1 27.6 1.0
N A:THR251 4.2 37.0 1.0
N A:ASP245 4.2 30.9 1.0
CA A:ASP247 4.2 48.5 1.0
CG A:GLU252 4.3 25.9 1.0
CB A:ASP245 4.4 37.9 1.0
N A:PHE244 4.5 29.0 1.0
CB A:ASP247 4.5 51.0 1.0
CA A:GLU243 4.5 25.3 1.0
N A:LEU248 4.6 46.5 1.0
CA A:THR251 4.6 44.4 1.0
CA A:ASP245 4.7 40.4 1.0
N A:GLY246 4.7 40.2 1.0
CA A:LEU248 4.7 45.3 1.0
CB A:GLU243 4.7 34.8 1.0
C A:ASP245 4.8 39.2 1.0
N A:GLU252 4.8 31.7 1.0
CG2 A:THR250 4.9 31.8 1.0
C A:THR251 4.9 37.1 1.0
C A:GLU243 5.0 25.6 1.0
C A:LEU248 5.0 46.9 1.0

Calcium binding site 2 out of 8 in 7u60

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Calcium binding site 2 out of 8 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:26.5
occ:1.00
OD1 A:ASN299 2.3 28.8 1.0
O A:HOH602 2.3 22.0 1.0
OD1 A:ASP301 2.4 51.4 1.0
O A:ARG303 2.4 25.2 1.0
OD1 A:ASP297 2.5 25.1 1.0
OD1 A:ASP305 2.5 32.6 1.0
OD2 A:ASP305 2.5 36.5 1.0
OD2 A:ASP301 2.7 35.1 1.0
CG A:ASP301 2.8 34.9 1.0
CG A:ASP305 2.8 24.8 1.0
CG A:ASN299 3.4 31.2 1.0
C A:ARG303 3.5 25.6 1.0
CG A:ASP297 3.6 35.3 1.0
ND2 A:ASN299 3.9 31.2 1.0
CB A:ARG303 4.0 41.3 1.0
N A:ARG303 4.0 37.6 1.0
CA A:ARG303 4.1 36.5 1.0
CB A:ASP301 4.3 29.8 1.0
CB A:ASP305 4.3 30.1 1.0
CB A:ASP297 4.4 23.8 1.0
CA A:ASP297 4.4 33.9 1.0
N A:ASN299 4.5 24.4 1.0
OD2 A:ASP297 4.5 30.3 1.0
N A:ASP305 4.6 22.6 1.0
C A:HIS304 4.6 23.4 1.0
N A:ASP301 4.6 33.3 1.0
N A:VAL298 4.6 25.1 1.0
CD2 A:LEU332 4.6 24.6 1.0
N A:HIS304 4.7 40.9 1.0
CB A:ASN299 4.7 26.2 1.0
N A:GLN333 4.8 29.7 1.0
O A:HIS304 4.8 24.1 1.0
O A:GLN333 4.8 33.2 1.0
C A:ASP297 4.9 28.2 1.0
CA A:ASN299 4.9 25.6 1.0
CA A:ASP305 4.9 22.9 1.0
CA A:ASP301 4.9 32.4 1.0
C A:ASN299 5.0 34.0 1.0

Calcium binding site 3 out of 8 in 7u60

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Calcium binding site 3 out of 8 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:22.0
occ:1.00
O A:TYR371 2.3 37.8 1.0
OD1 A:ASP367 2.4 35.9 1.0
OD1 A:ASP365 2.4 32.0 1.0
O A:HOH690 2.4 23.9 1.0
OD1 A:ASP373 2.4 20.9 1.0
OD1 A:ASP369 2.5 31.3 1.0
OD2 A:ASP373 2.5 20.4 1.0
CG A:ASP373 2.8 20.3 1.0
CG A:ASP369 3.4 24.5 1.0
C A:TYR371 3.4 25.3 1.0
CG A:ASP367 3.5 25.6 1.0
CG A:ASP365 3.5 29.6 1.0
OD2 A:ASP369 3.8 24.7 1.0
OD2 A:ASP367 3.9 38.0 1.0
N A:TYR371 4.1 30.8 1.0
CA A:TYR371 4.2 23.9 1.0
CA A:ASP365 4.2 25.3 1.0
CB A:TYR371 4.2 24.1 1.0
N A:LEU366 4.2 25.6 1.0
CB A:ASP373 4.3 20.9 1.0
N A:ASP367 4.3 21.2 1.0
OD2 A:ASP365 4.3 23.8 1.0
CB A:ASP365 4.4 22.2 1.0
C A:ASP365 4.5 25.1 1.0
N A:ASN372 4.5 22.3 1.0
CD2 A:LEU393 4.5 24.5 1.0
C A:ASN372 4.5 22.7 1.0
N A:GLY394 4.5 29.1 1.0
N A:ASP369 4.6 24.5 1.0
CB A:ASP369 4.6 33.4 1.0
N A:ASP373 4.6 27.3 1.0
CA A:ASN372 4.7 21.3 1.0
CB A:ASP367 4.8 22.1 1.0
O A:ASN372 4.8 21.0 1.0
N A:ARG368 4.8 41.3 1.0
O A:GLY394 4.8 24.7 1.0
CB A:LEU393 4.9 21.4 1.0
CA A:ASP367 4.9 29.2 1.0
CA A:ASP373 5.0 26.2 1.0

Calcium binding site 4 out of 8 in 7u60

Go back to Calcium Binding Sites List in 7u60
Calcium binding site 4 out of 8 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:20.8
occ:1.00
OD1 A:ASP426 2.3 38.5 1.0
O A:TYR432 2.3 24.1 1.0
OD1 A:ASP434 2.4 29.5 1.0
OD1 A:ASN430 2.4 31.6 1.0
OD2 A:ASP434 2.4 29.8 1.0
O A:HOH673 2.4 25.5 1.0
OD1 A:ASP428 2.4 30.7 1.0
CG A:ASP434 2.7 25.0 1.0
CG A:ASN430 3.4 24.7 1.0
CG A:ASP426 3.4 27.1 1.0
CG A:ASP428 3.4 30.6 1.0
C A:TYR432 3.5 20.8 1.0
OD2 A:ASP428 3.8 21.8 1.0
ND2 A:ASN430 4.1 25.4 1.0
CA A:ASP426 4.1 20.7 1.0
N A:TYR432 4.1 22.2 1.0
CA A:TYR432 4.2 26.4 1.0
OD2 A:ASP426 4.2 28.5 1.0
N A:ILE427 4.2 31.1 1.0
CB A:ASP434 4.2 19.5 1.0
CB A:ASP426 4.2 21.5 1.0
O A:ALA450 4.3 27.5 1.0
N A:ASP428 4.3 39.8 1.0
CB A:TYR432 4.3 21.4 1.0
N A:ASN430 4.4 23.5 1.0
CB A:ASN430 4.4 23.3 1.0
C A:ASP426 4.5 20.9 1.0
N A:PRO433 4.5 20.4 1.0
N A:ASP434 4.6 27.7 1.0
C A:PRO433 4.6 19.1 1.0
N A:ALA450 4.6 19.4 1.0
CB A:ASP428 4.7 22.2 1.0
CA A:PRO433 4.7 19.7 1.0
N A:ASP429 4.7 29.7 1.0
CA A:ASN430 4.8 23.9 1.0
CA A:ASP434 4.9 19.4 1.0
CA A:ASP428 4.9 22.4 1.0
N A:GLY431 4.9 23.7 1.0

Calcium binding site 5 out of 8 in 7u60

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Calcium binding site 5 out of 8 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca501

b:64.0
occ:1.00
OD1 C:ASP245 2.3 54.4 1.0
O C:ASP247 2.4 71.3 1.0
O C:THR250 2.4 51.3 1.0
OE1 C:GLU243 2.4 63.7 1.0
OE1 C:GLU252 2.4 52.8 1.0
OE2 C:GLU252 2.4 49.6 1.0
OE2 C:GLU243 2.4 61.0 1.0
OG1 C:THR250 2.5 64.9 1.0
CD C:GLU243 2.7 56.3 1.0
CD C:GLU252 2.7 49.7 1.0
C C:THR250 3.1 60.5 1.0
CG C:ASP245 3.2 56.6 1.0
CB C:THR250 3.5 63.7 1.0
OD2 C:ASP245 3.5 66.6 1.0
C C:ASP247 3.6 70.3 1.0
CA C:THR250 3.7 61.4 1.0
N C:THR250 3.9 81.4 1.0
N C:THR251 4.0 67.8 1.0
CG C:GLU243 4.2 52.5 1.0
CG C:GLU252 4.3 51.5 1.0
N C:ASP247 4.3 76.3 1.0
CA C:THR251 4.3 61.2 1.0
CA C:ASP247 4.4 73.3 1.0
CB C:ASP245 4.4 54.9 1.0
N C:ASP245 4.4 51.5 1.0
CB C:ASP247 4.5 74.7 1.0
N C:LEU248 4.6 72.0 1.0
N C:GLU252 4.6 55.0 1.0
CA C:GLU243 4.7 55.0 1.0
CA C:LEU248 4.7 64.3 1.0
C C:THR251 4.7 56.1 1.0
N C:PHE244 4.7 61.0 1.0
O C:HOH687 4.8 47.5 1.0
CG2 C:THR250 4.8 62.0 1.0
CA C:ASP245 4.8 60.9 1.0
CB C:GLU243 4.9 50.9 1.0
N C:GLY246 4.9 59.4 1.0
C C:LEU248 4.9 69.4 1.0
C C:ASP245 5.0 56.6 1.0

Calcium binding site 6 out of 8 in 7u60

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Calcium binding site 6 out of 8 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca502

b:46.3
occ:1.00
OD1 C:ASN299 2.3 50.1 1.0
OD1 C:ASP301 2.4 74.8 1.0
OD1 C:ASP297 2.4 46.8 1.0
O C:ARG303 2.5 46.5 1.0
OD1 C:ASP305 2.5 43.4 1.0
OD2 C:ASP305 2.5 49.4 1.0
OD2 C:ASP301 2.5 67.0 1.0
CG C:ASP301 2.7 61.0 1.0
CG C:ASP305 2.8 41.8 1.0
CG C:ASN299 3.3 50.4 1.0
C C:ARG303 3.5 47.4 1.0
CG C:ASP297 3.6 54.3 1.0
ND2 C:ASN299 3.7 56.7 1.0
CB C:ARG303 4.1 60.3 1.0
CA C:ARG303 4.1 58.0 1.0
N C:ARG303 4.2 60.0 1.0
CB C:ASP301 4.2 53.8 1.0
CB C:ASP305 4.3 39.5 1.0
CB C:ASP297 4.3 44.2 1.0
CA C:ASP297 4.3 50.4 1.0
OD2 C:ASP297 4.5 54.0 1.0
C C:HIS304 4.5 48.4 1.0
N C:ASN299 4.5 43.9 1.0
N C:VAL298 4.6 49.1 1.0
O C:HIS304 4.6 56.5 1.0
N C:ASP305 4.6 40.5 1.0
N C:HIS304 4.6 60.2 1.0
N C:ASP301 4.6 51.9 1.0
CD2 C:LEU332 4.7 42.7 1.0
CB C:ASN299 4.7 46.6 1.0
N C:GLN333 4.7 45.3 1.0
O C:GLN333 4.8 50.6 1.0
C C:ASP297 4.9 49.6 1.0
CA C:ASP305 4.9 39.5 1.0
CA C:ASP301 4.9 54.1 1.0
CA C:HIS304 4.9 45.2 1.0

Calcium binding site 7 out of 8 in 7u60

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Calcium binding site 7 out of 8 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca503

b:40.8
occ:1.00
O C:TYR371 2.2 43.2 1.0
OD1 C:ASP365 2.3 47.6 1.0
O C:HOH655 2.4 37.0 1.0
OD2 C:ASP373 2.4 37.5 1.0
OD1 C:ASP367 2.4 54.4 1.0
OD1 C:ASP373 2.4 37.8 1.0
OD1 C:ASP369 2.5 54.7 1.0
CG C:ASP373 2.7 37.5 1.0
CG C:ASP365 3.4 47.1 1.0
C C:TYR371 3.4 56.0 1.0
CG C:ASP367 3.5 48.6 1.0
CG C:ASP369 3.5 56.2 1.0
OD2 C:ASP367 4.0 51.9 1.0
OD2 C:ASP369 4.0 56.3 1.0
N C:LEU366 4.0 47.7 1.0
CA C:ASP365 4.1 44.8 1.0
OD2 C:ASP365 4.1 60.3 1.0
N C:TYR371 4.2 46.4 1.0
N C:ASP367 4.2 52.0 1.0
CA C:TYR371 4.2 44.6 1.0
CB C:ASP373 4.3 38.2 1.0
CB C:ASP365 4.3 42.8 1.0
C C:ASP365 4.3 50.5 1.0
C C:ASN372 4.4 42.1 1.0
CB C:TYR371 4.4 44.4 1.0
N C:ASN372 4.4 53.3 1.0
N C:ASP369 4.5 52.1 1.0
CD2 C:LEU393 4.6 44.5 1.0
CA C:ASN372 4.6 47.5 1.0
N C:GLY394 4.6 37.9 1.0
N C:ASP373 4.6 49.7 1.0
N C:ARG368 4.7 56.6 1.0
O C:ASN372 4.7 40.4 1.0
CB C:ASP369 4.7 47.6 1.0
CB C:ASP367 4.7 45.8 1.0
CA C:ASP367 4.9 48.2 1.0
O C:GLY394 4.9 46.3 1.0
CA C:ASP373 5.0 44.8 1.0

Calcium binding site 8 out of 8 in 7u60

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Calcium binding site 8 out of 8 in the Integrin ALAPHIIBBETA3 Complex with Crgdfv


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 Crgdfv within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca504

b:48.2
occ:1.00
O C:TYR432 2.3 51.6 1.0
OD2 C:ASP434 2.3 41.6 1.0
OD1 C:ASN430 2.4 57.6 1.0
OD1 C:ASP428 2.4 43.0 1.0
OD1 C:ASP434 2.4 44.9 1.0
OD1 C:ASP426 2.4 55.5 1.0
O C:HOH659 2.4 34.9 1.0
CG C:ASP434 2.7 47.8 1.0
CG C:ASP428 3.3 57.4 1.0
CG C:ASN430 3.4 43.8 1.0
CG C:ASP426 3.4 55.8 1.0
C C:TYR432 3.5 45.8 1.0
OD2 C:ASP428 3.8 55.6 1.0
CA C:ASP426 4.0 53.1 1.0
ND2 C:ASN430 4.1 43.5 1.0
CB C:ASP434 4.1 34.3 1.0
N C:TYR432 4.2 49.7 1.0
CB C:ASP426 4.2 52.9 1.0
N C:ILE427 4.2 49.2 1.0
CA C:TYR432 4.2 45.7 1.0
N C:ASP428 4.2 50.6 1.0
OD2 C:ASP426 4.3 62.3 1.0
O C:ALA450 4.3 39.8 1.0
CB C:TYR432 4.4 52.6 1.0
CB C:ASN430 4.4 45.6 1.0
C C:ASP426 4.4 55.5 1.0
C C:PRO433 4.4 43.8 1.0
N C:ASN430 4.4 52.8 1.0
N C:ASP434 4.5 35.1 1.0
N C:PRO433 4.5 43.9 1.0
N C:ALA450 4.5 36.0 1.0
CB C:ASP428 4.6 50.7 1.0
CA C:PRO433 4.6 39.8 1.0
CA C:ASP434 4.8 33.8 1.0
N C:ASP429 4.8 60.4 1.0
O C:PRO433 4.8 36.7 1.0
CA C:ASP428 4.8 46.8 1.0
CA C:ASN430 4.9 47.1 1.0
CB C:ALA450 5.0 36.9 1.0
C C:ASP428 5.0 59.0 1.0

Reference:

J.Zhu, F.Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Eptifibatide To Be Published.
Page generated: Fri Jul 19 04:41:26 2024

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