Calcium in PDB 4z7n: Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide

The structure of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide, PDB code: 4z7n was solved by 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)	49.19 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	256.883, 144.373, 104.639, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 25.3

The structure of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide also contains other interesting chemical elements:

Manganese	(Mn)	6 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide (pdb code 4z7n). 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 ALPHAIIBBETA3 in Complex with Agdv Peptide, PDB code: 4z7n:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:84.2 occ:1.00 OD1 A:ASP245 2.3 68.7 1.0 O A:THR250 2.3 70.5 1.0 OE2 A:GLU243 2.3 68.6 1.0 OG1 A:THR250 2.3 71.1 1.0 OE2 A:GLU252 2.3 65.0 1.0 OE1 A:GLU243 2.3 67.9 1.0 OE1 A:GLU252 2.4 65.8 1.0 O A:ASP247 2.4 71.4 1.0 CD A:GLU243 2.6 68.1 1.0 CD A:GLU252 2.7 64.8 1.0 C A:THR250 2.9 69.0 1.0 CG A:ASP245 3.1 69.0 1.0 OD2 A:ASP245 3.3 69.6 1.0 CB A:THR250 3.3 71.1 1.0 H A:THR250 3.4 87.5 1.0 CA A:THR250 3.5 70.2 1.0 HB A:THR250 3.6 85.3 1.0 C A:ASP247 3.6 73.5 1.0 HA A:THR251 3.7 76.4 1.0 N A:THR251 3.8 65.4 1.0 N A:THR250 3.9 72.9 1.0 HA A:GLU243 3.9 77.2 1.0 HB3 A:ASP247 3.9 90.2 1.0 H A:ASP245 4.0 81.2 1.0 HA A:LEU248 4.0 88.2 1.0 H A:GLU252 4.1 74.3 1.0 CG A:GLU243 4.1 68.0 1.0 CA A:THR251 4.1 63.7 1.0 CG A:GLU252 4.2 63.3 1.0 H A:PHE244 4.3 77.5 1.0 O A:HOH621 4.3 65.7 1.0 N A:GLU252 4.4 61.9 1.0 HA A:THR250 4.4 84.3 1.0 H A:THR251 4.4 78.5 1.0 C A:THR251 4.5 62.5 1.0 CA A:ASP247 4.5 75.1 1.0 HG3 A:GLU243 4.5 81.6 1.0 CB A:ASP245 4.5 69.0 1.0 N A:LEU248 4.5 74.6 1.0 HG3 A:GLU252 4.5 75.9 1.0 HG2 A:GLU252 4.6 75.9 1.0 CB A:ASP247 4.6 75.2 1.0 CA A:LEU248 4.6 73.5 1.0 N A:ASP247 4.6 74.5 1.0 H A:ASP247 4.6 89.4 1.0 HG2 A:GLU243 4.6 81.6 1.0 CG2 A:THR250 4.6 75.5 1.0 CA A:GLU243 4.7 64.3 1.0 N A:ASP245 4.7 67.7 1.0 HB2 A:GLU243 4.7 79.2 1.0 C A:LEU248 4.8 73.0 1.0 CB A:GLU243 4.8 66.0 1.0 HB3 A:ASP245 4.8 82.8 1.0 HG23 A:THR250 4.8 90.7 1.0 HG21 A:THR250 4.9 90.7 1.0 N A:PHE244 4.9 64.6 1.0 O A:HOH710 4.9 70.2 1.0 HB2 A:GLU252 4.9 73.7 1.0 O A:LEU248 5.0 71.7 1.0

Calcium binding site 2 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:46.5 occ:1.00 O A:ARG303 2.2 60.2 1.0 OD1 A:ASN299 2.3 63.2 1.0 OD1 A:ASP297 2.3 61.5 1.0 O A:HOH617 2.4 46.2 1.0 OD1 A:ASP305 2.4 58.0 1.0 OD2 A:ASP305 2.5 57.3 1.0 OD1 A:ASP301 2.5 66.1 1.0 CG A:ASP305 2.7 56.5 1.0 CG A:ASN299 3.3 64.8 1.0 HD21 A:ASN299 3.3 79.6 1.0 CG A:ASP301 3.3 68.4 1.0 C A:ARG303 3.3 61.0 1.0 HA A:ASP297 3.3 68.6 1.0 HB2 A:ARG303 3.4 78.2 1.0 CG A:ASP297 3.4 61.6 1.0 OD2 A:ASP301 3.5 68.6 1.0 H A:ASN299 3.5 74.1 1.0 H A:ARG303 3.6 78.6 1.0 ND2 A:ASN299 3.7 66.3 1.0 H A:ASP301 3.8 83.2 1.0 H A:VAL298 3.8 68.5 1.0 HD22 A:LEU332 4.0 70.6 1.0 HB2 A:ASP297 4.0 71.4 1.0 CA A:ARG303 4.0 64.0 1.0 CB A:ASP297 4.0 59.5 1.0 N A:ARG303 4.1 65.5 1.0 CA A:ASP297 4.1 57.2 1.0 CB A:ARG303 4.1 65.2 1.0 CB A:ASP305 4.1 54.0 1.0 H A:GLN333 4.2 72.1 1.0 N A:ASP305 4.2 54.6 1.0 C A:HIS304 4.3 56.2 1.0 H A:ASP305 4.3 65.5 1.0 HB3 A:ARG303 4.3 78.2 1.0 N A:VAL298 4.3 57.0 1.0 N A:ASN299 4.4 61.8 1.0 OD2 A:ASP297 4.4 63.8 1.0 N A:HIS304 4.4 59.8 1.0 HB2 A:ASP305 4.4 64.8 1.0 HB3 A:GLN333 4.5 73.5 1.0 HA A:HIS304 4.5 68.8 1.0 HD22 A:ASN299 4.5 79.6 1.0 O A:HIS304 4.5 57.1 1.0 H A:GLY300 4.6 79.3 1.0 C A:ASP297 4.6 57.6 1.0 HD23 A:LEU332 4.6 70.6 1.0 N A:ASP301 4.6 69.3 1.0 CB A:ASN299 4.6 65.8 1.0 CA A:ASP305 4.7 53.6 1.0 CA A:HIS304 4.7 57.3 1.0 CB A:ASP301 4.7 71.7 1.0 HG22 A:VAL298 4.7 67.6 1.0 HB3 A:ASP305 4.7 64.8 1.0 HA A:ASP305 4.7 64.3 1.0 CD2 A:LEU332 4.7 58.8 1.0 HB3 A:LEU332 4.7 73.5 1.0 HA A:LEU332 4.8 70.5 1.0 N A:GLN333 4.9 60.1 1.0 N A:GLY300 4.9 66.0 1.0 CA A:ASN299 4.9 65.0 1.0 HA A:ARG303 4.9 76.8 1.0 HB3 A:ASP297 5.0 71.4 1.0 HB3 A:ASN299 5.0 78.9 1.0

Calcium binding site 3 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:53.6 occ:1.00 O A:TYR371 2.3 62.5 1.0 OD1 A:ASP365 2.3 62.6 1.0 O A:HOH601 2.3 38.1 1.0 OD1 A:ASP367 2.3 61.4 1.0 OD2 A:ASP373 2.4 57.6 1.0 OD1 A:ASP369 2.4 69.9 1.0 OD1 A:ASP373 2.4 58.5 1.0 CG A:ASP373 2.7 57.2 1.0 HA A:ASP365 3.3 71.7 1.0 H A:LEU366 3.3 69.1 1.0 CG A:ASP369 3.4 70.0 1.0 H A:ASP367 3.4 71.2 1.0 C A:TYR371 3.4 63.5 1.0 CG A:ASP367 3.5 62.1 1.0 CG A:ASP365 3.5 63.5 1.0 H A:ASP369 3.6 80.7 1.0 HD22 A:LEU393 3.6 68.4 1.0 HB2 A:TYR371 3.7 79.7 1.0 H A:GLY394 3.7 72.3 1.0 H A:TYR371 3.8 81.2 1.0 OD2 A:ASP369 3.8 73.1 1.0 N A:LEU366 3.9 57.6 1.0 OD2 A:ASP367 4.0 63.3 1.0 CA A:ASP365 4.0 59.7 1.0 H A:ARG368 4.1 75.9 1.0 HA A:ASN372 4.1 72.4 1.0 N A:ASP367 4.1 59.3 1.0 CB A:ASP373 4.2 55.4 1.0 HB3 A:LEU393 4.2 70.9 1.0 CA A:TYR371 4.3 66.2 1.0 N A:TYR371 4.3 67.6 1.0 OD2 A:ASP365 4.3 65.6 1.0 C A:ASN372 4.3 58.8 1.0 C A:ASP365 4.4 58.8 1.0 CB A:ASP365 4.4 62.1 1.0 N A:ASN372 4.4 62.6 1.0 N A:ASP369 4.4 67.3 1.0 CB A:TYR371 4.5 66.4 1.0 CD2 A:LEU393 4.5 57.0 1.0 HD23 A:LEU393 4.5 68.4 1.0 CA A:ASN372 4.5 60.3 1.0 N A:ASP373 4.5 57.0 1.0 N A:ARG368 4.5 63.3 1.0 N A:GLY394 4.5 60.2 1.0 HB3 A:LEU366 4.6 66.2 1.0 CB A:ASP369 4.6 68.8 1.0 O A:ASN372 4.6 59.5 1.0 HB2 A:ASP373 4.6 66.4 1.0 H A:GLY370 4.6 83.6 1.0 HB3 A:ASP373 4.7 66.4 1.0 HA A:LEU393 4.7 69.4 1.0 CB A:ASP367 4.7 61.6 1.0 H A:ASP373 4.7 68.3 1.0 HB3 A:ASP369 4.7 82.6 1.0 HB2 A:ASP365 4.8 74.6 1.0 CA A:ASP367 4.8 61.1 1.0 O A:GLY364 4.9 56.7 1.0 HB3 A:TYR371 4.9 79.7 1.0 CA A:LEU366 4.9 56.7 1.0 CA A:ASP373 4.9 55.6 1.0 HA3 A:GLY394 4.9 74.3 1.0 C A:ASP367 5.0 63.2 1.0 O A:GLY394 5.0 65.1 1.0 C A:LEU366 5.0 58.3 1.0

Calcium binding site 4 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:53.2 occ:1.00 OD1 A:ASP426 2.2 58.4 1.0 OD1 A:ASP434 2.3 53.8 1.0 O A:TYR432 2.3 57.1 1.0 OD1 A:ASN430 2.3 59.2 1.0 OD1 A:ASP428 2.3 57.8 1.0 O A:HOH607 2.3 60.1 1.0 OD2 A:ASP434 2.4 54.4 1.0 CG A:ASP434 2.6 53.5 1.0 CG A:ASP428 3.2 57.8 1.0 HA A:ASP426 3.3 68.6 1.0 CG A:ASP426 3.3 59.5 1.0 CG A:ASN430 3.4 60.1 1.0 C A:TYR432 3.4 57.5 1.0 H A:TYR432 3.4 72.7 1.0 OD2 A:ASP428 3.5 57.5 1.0 HB2 A:TYR432 3.5 70.4 1.0 H A:ALA450 3.6 58.0 1.0 H A:ASP428 3.6 69.3 1.0 H A:ASN430 3.7 74.8 1.0 HD21 A:ASN430 3.7 71.7 1.0 HB3 A:ALA450 3.8 53.3 1.0 H A:ILE427 3.8 67.6 1.0 ND2 A:ASN430 3.9 59.7 1.0 CA A:ASP426 4.0 57.1 1.0 O A:ALA450 4.0 53.6 1.0 CA A:TYR432 4.1 59.2 1.0 N A:TYR432 4.1 60.6 1.0 CB A:ASP426 4.1 58.9 1.0 CB A:ASP434 4.1 52.1 1.0 HB2 A:ASP426 4.1 70.6 1.0 CB A:TYR432 4.2 58.7 1.0 HG2 A:ARG449 4.2 64.5 1.0 OD2 A:ASP426 4.2 61.3 1.0 HA A:PRO433 4.3 66.4 1.0 N A:ASP434 4.3 53.0 1.0 H A:ASP429 4.3 73.2 1.0 N A:ALA450 4.3 48.4 1.0 N A:ILE427 4.3 56.3 1.0 N A:PRO433 4.3 56.7 1.0 N A:ASP428 4.4 57.8 1.0 H A:ASP434 4.4 63.6 1.0 C A:PRO433 4.4 53.8 1.0 HB3 A:TYR432 4.4 70.4 1.0 HB2 A:ASP434 4.4 62.5 1.0 N A:ASN430 4.5 62.3 1.0 HG22 A:ILE427 4.5 65.2 1.0 CB A:ASN430 4.5 61.8 1.0 C A:ASP426 4.5 57.5 1.0 HA A:ARG449 4.5 62.7 1.0 CA A:PRO433 4.5 55.4 1.0 HB3 A:ASN430 4.5 74.2 1.0 CB A:ASP428 4.6 58.3 1.0 HB3 A:ASP434 4.6 62.5 1.0 CA A:ASP434 4.7 51.8 1.0 CB A:ALA450 4.7 44.4 1.0 HA A:ASP434 4.7 62.1 1.0 HD22 A:ASN430 4.8 71.7 1.0 N A:ASP429 4.8 61.0 1.0 HB3 A:ARG449 4.8 69.2 1.0 C A:ALA450 4.9 54.9 1.0 CA A:ALA450 4.9 49.7 1.0 HB3 A:ASP428 4.9 70.0 1.0 H A:GLY431 4.9 76.1 1.0 CA A:ASP428 4.9 59.0 1.0 CA A:ASN430 4.9 63.1 1.0 O A:PRO433 4.9 53.4 1.0 HB3 A:ASP426 5.0 70.6 1.0 HA A:TYR432 5.0 71.0 1.0

Calcium binding site 5 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:0.5 occ:1.00 OE2 C:GLU252 2.3 94.1 1.0 OG1 C:THR250 2.3 1.0 1.0 OE2 C:GLU243 2.3 98.8 1.0 OD1 C:ASP245 2.3 99.8 1.0 O C:THR250 2.3 97.0 1.0 OE1 C:GLU243 2.3 96.3 1.0 OE1 C:GLU252 2.4 95.0 1.0 O C:ASP247 2.4 0.1 1.0 CD C:GLU243 2.6 97.0 1.0 CD C:GLU252 2.7 93.7 1.0 C C:THR250 2.8 97.2 1.0 CG C:ASP245 3.1 0.1 1.0 CB C:THR250 3.3 0.7 1.0 OD2 C:ASP245 3.3 0.7 1.0 H C:THR250 3.5 0.1 1.0 CA C:THR250 3.5 0.7 1.0 HA C:THR251 3.5 0.6 1.0 N C:THR251 3.6 94.6 1.0 HB C:THR250 3.6 0.1 1.0 C C:ASP247 3.6 0.2 1.0 HB3 C:ASP247 3.7 0.0 1.0 H C:GLU252 3.8 0.6 1.0 N C:THR250 3.8 0.4 1.0 HA C:GLU243 3.8 0.1 1.0 H C:ASP245 3.9 0.9 1.0 CA C:THR251 4.0 91.3 1.0 HA C:LEU248 4.1 0.0 1.0 CG C:GLU243 4.1 95.8 1.0 N C:GLU252 4.2 88.8 1.0 CG C:GLU252 4.2 91.6 1.0 H C:THR251 4.2 0.5 1.0 H C:PHE244 4.2 0.9 1.0 HA C:THR250 4.4 0.8 1.0 C C:THR251 4.4 89.7 1.0 CA C:ASP247 4.4 0.2 1.0 H C:ASP247 4.4 0.5 1.0 HG3 C:GLU243 4.5 0.0 1.0 CB C:ASP247 4.5 0.0 1.0 CB C:ASP245 4.5 0.0 1.0 N C:ASP247 4.5 0.9 1.0 HG3 C:GLU252 4.5 0.9 1.0 N C:LEU248 4.6 0.4 1.0 HG2 C:GLU252 4.6 0.9 1.0 CG2 C:THR250 4.6 0.4 1.0 HG2 C:GLU243 4.6 0.0 1.0 CA C:LEU248 4.6 0.0 1.0 CA C:GLU243 4.7 90.1 1.0 HB2 C:GLU243 4.7 0.8 1.0 N C:ASP245 4.7 97.4 1.0 HB3 C:ASP245 4.7 0.2 1.0 C C:LEU248 4.7 0.9 1.0 HG23 C:THR250 4.8 0.5 1.0 CB C:GLU243 4.8 92.3 1.0 HG21 C:THR250 4.9 0.5 1.0 O C:LEU248 4.9 0.3 1.0 HB2 C:GLU252 4.9 0.8 1.0 N C:PHE244 4.9 91.6 1.0 CB C:GLU252 5.0 88.2 1.0

Calcium binding site 6 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca504 b:0.3 occ:1.00 O C:ARG303 2.1 91.2 1.0 OD1 C:ASP297 2.3 93.4 1.0 OD2 C:ASP305 2.3 85.6 1.0 OD1 C:ASN299 2.3 95.5 1.0 OD1 C:ASP301 2.3 0.1 1.0 O C:HOH613 2.4 62.9 1.0 OD1 C:ASP305 2.4 87.5 1.0 CG C:ASP305 2.6 84.4 1.0 HA C:ASP297 3.2 0.8 1.0 HD21 C:ASN299 3.3 0.7 1.0 C C:ARG303 3.3 92.5 1.0 CG C:ASP301 3.3 0.3 1.0 CG C:ASN299 3.3 97.5 1.0 HB2 C:ARG303 3.4 0.4 1.0 CG C:ASP297 3.5 93.7 1.0 OD2 C:ASP301 3.6 0.7 1.0 H C:ASN299 3.6 0.9 1.0 H C:ARG303 3.6 0.4 1.0 ND2 C:ASN299 3.7 99.8 1.0 H C:VAL298 3.9 0.1 1.0 H C:ASP301 3.9 0.0 1.0 HD22 C:LEU332 4.0 0.4 1.0 CA C:ASP297 4.0 85.6 1.0 H C:ASP305 4.0 98.0 1.0 CA C:ARG303 4.0 97.6 1.0 N C:ASP305 4.0 81.7 1.0 N C:ARG303 4.0 0.4 1.0 CB C:ASP305 4.0 80.3 1.0 H C:GLN333 4.1 1.0 1.0 CB C:ARG303 4.1 99.5 1.0 CB C:ASP297 4.1 89.8 1.0 HB2 C:ASP297 4.2 0.8 1.0 C C:HIS304 4.2 84.2 1.0 N C:HIS304 4.3 90.3 1.0 N C:VAL298 4.3 84.3 1.0 HA C:HIS304 4.4 0.1 1.0 N C:ASN299 4.4 91.6 1.0 OD2 C:ASP297 4.4 97.5 1.0 HB3 C:ARG303 4.4 0.4 1.0 HB2 C:ASP305 4.5 96.4 1.0 HB3 C:GLN333 4.5 0.3 1.0 HD22 C:ASN299 4.5 0.7 1.0 CA C:ASP305 4.5 80.0 1.0 C C:ASP297 4.5 85.7 1.0 HG22 C:VAL298 4.5 99.0 1.0 CA C:HIS304 4.6 85.9 1.0 HA C:ASP305 4.6 96.0 1.0 HB3 C:ASP305 4.6 96.4 1.0 HD23 C:LEU332 4.6 0.4 1.0 O C:HIS304 4.6 85.5 1.0 CB C:ASN299 4.6 98.0 1.0 CB C:ASP301 4.7 0.6 1.0 N C:ASP301 4.7 0.8 1.0 CD2 C:LEU332 4.7 87.0 1.0 HB3 C:LEU332 4.8 0.4 1.0 HA C:LEU332 4.8 0.1 1.0 H C:GLY300 4.8 0.2 1.0 N C:GLN333 4.9 90.8 1.0 HA C:ARG303 4.9 0.1 1.0 HB3 C:ASP301 4.9 0.5 1.0 CA C:ASN299 5.0 96.7 1.0 HB3 C:ASN299 5.0 0.7 1.0

Calcium binding site 7 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca505 b:73.3 occ:1.00 O C:TYR371 2.2 83.8 1.0 OD2 C:ASP373 2.3 77.1 1.0 OD1 C:ASP367 2.3 83.8 1.0 OD1 C:ASP365 2.3 85.9 1.0 O C:HOH614 2.4 47.5 1.0 OD1 C:ASP369 2.4 88.2 1.0 OD1 C:ASP373 2.4 77.3 1.0 CG C:ASP373 2.7 75.8 1.0 HA C:ASP365 3.1 98.5 1.0 H C:ASP367 3.2 98.4 1.0 H C:LEU366 3.2 94.6 1.0 CG C:ASP369 3.4 90.2 1.0 C C:TYR371 3.4 84.9 1.0 CG C:ASP365 3.5 87.5 1.0 CG C:ASP367 3.5 84.6 1.0 H C:ASP369 3.6 0.6 1.0 H C:TYR371 3.7 0.3 1.0 N C:LEU366 3.8 78.8 1.0 OD2 C:ASP369 3.8 89.8 1.0 HD22 C:LEU393 3.8 89.5 1.0 HB2 C:TYR371 3.8 0.6 1.0 CA C:ASP365 3.9 82.1 1.0 H C:GLY394 3.9 93.8 1.0 OD2 C:ASP367 4.0 85.5 1.0 N C:ASP367 4.0 82.0 1.0 HA C:ASN372 4.1 96.2 1.0 H C:ARG368 4.2 0.2 1.0 C C:ASP365 4.2 81.2 1.0 CB C:ASP373 4.2 72.7 1.0 N C:TYR371 4.2 91.1 1.0 CA C:TYR371 4.3 88.4 1.0 OD2 C:ASP365 4.3 90.8 1.0 C C:ASN372 4.3 77.5 1.0 CB C:ASP365 4.3 85.9 1.0 HB3 C:LEU393 4.3 92.0 1.0 N C:ASN372 4.4 83.4 1.0 H C:GLY370 4.4 0.5 1.0 HB3 C:LEU366 4.4 89.9 1.0 CA C:ASN372 4.5 80.2 1.0 N C:ASP373 4.5 75.0 1.0 N C:ASP369 4.5 93.0 1.0 CB C:TYR371 4.5 88.0 1.0 O C:ASN372 4.5 77.9 1.0 N C:ARG368 4.6 88.5 1.0 HB2 C:ASP373 4.6 87.3 1.0 CB C:ASP369 4.6 93.6 1.0 HB3 C:ASP373 4.6 87.3 1.0 CB C:ASP367 4.7 84.8 1.0 H C:ASP373 4.7 90.0 1.0 CD2 C:LEU393 4.7 74.6 1.0 N C:GLY394 4.7 78.2 1.0 O C:GLY364 4.7 76.2 1.0 CA C:LEU366 4.8 77.9 1.0 HD23 C:LEU393 4.8 89.5 1.0 HA C:LEU393 4.8 89.5 1.0 CA C:ASP367 4.8 84.8 1.0 HB3 C:ASP369 4.8 0.3 1.0 HB2 C:ASP365 4.9 0.1 1.0 CA C:ASP373 4.9 72.6 1.0 HB3 C:TYR371 4.9 0.6 1.0 C C:LEU366 4.9 80.5 1.0 N C:GLY370 4.9 95.5 1.0 C C:ASP367 5.0 88.4 1.0 HB3 C:ASP365 5.0 0.1 1.0

Calcium binding site 8 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Integrin ALPHAIIBBETA3 in Complex with Agdv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca506 b:75.0 occ:1.00 O C:TYR432 2.2 73.7 1.0 OD1 C:ASP426 2.3 75.9 1.0 OD1 C:ASP434 2.3 66.9 1.0 OD1 C:ASN430 2.3 75.9 1.0 OD1 C:ASP428 2.3 73.5 1.0 O C:HOH602 2.4 63.2 1.0 OD2 C:ASP434 2.4 67.4 1.0 CG C:ASP434 2.6 66.0 1.0 HA C:ASP426 3.1 90.3 1.0 CG C:ASP428 3.2 72.8 1.0 CG C:ASP426 3.2 78.3 1.0 C C:TYR432 3.3 75.3 1.0 H C:TYR432 3.4 96.5 1.0 OD2 C:ASP428 3.4 72.0 1.0 CG C:ASN430 3.5 78.1 1.0 HB2 C:TYR432 3.6 93.0 1.0 H C:ASP428 3.6 88.8 1.0 H C:ALA450 3.7 80.5 1.0 H C:ASN430 3.7 98.5 1.0 CA C:ASP426 3.8 75.2 1.0 CB C:ASP426 3.9 78.0 1.0 HB2 C:ASP426 3.9 93.6 1.0 HB3 C:ALA450 3.9 84.5 1.0 H C:ILE427 4.0 87.5 1.0 CB C:ASP434 4.0 63.8 1.0 CA C:TYR432 4.1 78.5 1.0 N C:TYR432 4.1 80.4 1.0 OD2 C:ASP426 4.1 81.2 1.0 CB C:TYR432 4.2 77.5 1.0 N C:ASP434 4.2 66.9 1.0 HD21 C:ASN430 4.2 94.6 1.0 HA C:PRO433 4.3 86.9 1.0 H C:ASP434 4.3 80.3 1.0 C C:PRO433 4.3 69.0 1.0 O C:ALA450 4.3 73.1 1.0 N C:PRO433 4.3 74.9 1.0 ND2 C:ASN430 4.3 78.8 1.0 N C:ILE427 4.3 73.0 1.0 HB2 C:ASP434 4.4 76.5 1.0 C C:ASP426 4.4 75.5 1.0 HB3 C:TYR432 4.4 93.0 1.0 HG2 C:ARG449 4.4 79.0 1.0 N C:ALA450 4.4 67.1 1.0 N C:ASP428 4.4 74.0 1.0 HB3 C:ASN430 4.4 97.0 1.0 H C:ASP429 4.4 95.7 1.0 CA C:PRO433 4.5 72.4 1.0 CB C:ASN430 4.5 80.9 1.0 HA C:ARG449 4.5 77.0 1.0 N C:ASN430 4.5 82.0 1.0 CA C:ASP434 4.6 64.2 1.0 CB C:ASP428 4.6 73.6 1.0 HA C:ASP434 4.6 77.0 1.0 HG22 C:ILE427 4.6 82.0 1.0 HB3 C:ASP434 4.6 76.5 1.0 O C:PRO433 4.8 68.9 1.0 CB C:ALA450 4.8 70.4 1.0 HB3 C:ARG449 4.8 79.2 1.0 HB3 C:ASP426 4.8 93.6 1.0 N C:ASP429 4.9 79.7 1.0 HB3 C:ASP428 4.9 88.3 1.0 CA C:ASN430 4.9 83.4 1.0 CA C:ASP428 4.9 75.5 1.0 O C:VAL425 5.0 70.5 1.0 H C:GLY431 5.0 0.7 1.0 HA C:TYR432 5.0 94.2 1.0

F.Y.Lin, J.Zhu, E.T.Eng, N.E.Hudson, T.A.Springer. Beta-Subunit Binding Is Sufficient For Ligands to Open the Integrin Alpha Iib Beta 3 Headpiece. J.Biol.Chem. V. 291 4537 2016.
ISSN: ESSN 1083-351X
PubMed: 26631735
DOI: 10.1074/JBC.M115.705624