Calcium in PDB 4z7q: Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 Peptide

The structure of Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 Peptide, PDB code: 4z7q 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)	48.94 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	259.440, 144.240, 104.500, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.6

The structure of Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 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-NH2 Peptide (pdb code 4z7q). 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-NH2 Peptide, PDB code: 4z7q:
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-NH2 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-NH2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:65.5 occ:1.00 OD1 A:ASP245 2.3 77.5 1.0 O A:THR250 2.3 61.5 1.0 O A:ASP247 2.3 74.0 1.0 OE1 A:GLU252 2.3 58.2 1.0 OE2 A:GLU252 2.4 76.5 1.0 OE1 A:GLU243 2.4 63.4 1.0 OE2 A:GLU243 2.4 68.3 1.0 OG1 A:THR250 2.4 75.8 1.0 CD A:GLU252 2.7 67.1 1.0 CD A:GLU243 2.7 65.7 1.0 C A:THR250 3.1 65.8 1.0 CG A:ASP245 3.2 78.2 1.0 HB3 A:ASP247 3.4 0.7 1.0 C A:ASP247 3.5 67.9 1.0 OD2 A:ASP245 3.5 76.6 1.0 CB A:THR250 3.6 82.9 1.0 H A:THR250 3.6 0.1 1.0 CA A:THR250 3.7 77.2 1.0 HA A:GLU243 3.7 66.2 1.0 HA A:THR251 3.7 84.1 1.0 H A:ASP245 3.8 94.0 1.0 H A:ASP247 3.9 85.8 1.0 N A:THR251 3.9 75.0 1.0 HB A:THR250 4.0 99.5 1.0 N A:THR250 4.0 84.2 1.0 H A:PHE244 4.0 72.2 1.0 H A:GLU252 4.1 69.0 1.0 CG A:GLU243 4.1 64.2 1.0 CG A:GLU252 4.2 64.6 1.0 CA A:ASP247 4.2 72.6 1.0 N A:ASP247 4.2 71.5 1.0 CB A:ASP247 4.2 88.1 1.0 CA A:THR251 4.3 70.1 1.0 O A:HOH602 4.3 53.9 1.0 HA A:LEU248 4.3 82.1 1.0 N A:GLU252 4.4 57.5 1.0 HG3 A:GLU243 4.5 77.1 1.0 CB A:ASP245 4.5 83.6 1.0 O A:HOH659 4.6 66.0 1.0 N A:LEU248 4.6 62.2 1.0 HG2 A:GLU252 4.6 77.5 1.0 N A:ASP245 4.6 78.4 1.0 HG3 A:GLU252 4.6 77.5 1.0 CA A:GLU243 4.6 55.2 1.0 C A:THR251 4.6 68.7 1.0 HA A:THR250 4.6 92.6 1.0 H A:THR251 4.7 90.0 1.0 HB3 A:ASP245 4.7 0.3 1.0 HG2 A:GLU243 4.7 77.1 1.0 N A:PHE244 4.7 60.1 1.0 H A:GLY246 4.7 94.8 1.0 HB2 A:GLU243 4.7 59.2 1.0 CG2 A:THR250 4.8 88.3 1.0 CB A:GLU243 4.8 49.3 1.0 HG23 A:THR250 4.8 0.0 1.0 CA A:LEU248 4.8 68.4 1.0 HB2 A:GLU252 4.8 68.3 1.0 HB2 A:ASP247 4.9 0.7 1.0 C A:LEU248 4.9 76.2 1.0 O A:GLY242 4.9 57.5 1.0 CA A:ASP245 4.9 81.5 1.0 N A:GLY246 5.0 79.0 1.0

Calcium binding site 2 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 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-NH2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:58.2 occ:1.00 O A:ARG303 2.2 43.3 1.0 OD1 A:ASN299 2.4 54.3 1.0 OD1 A:ASP305 2.4 62.3 1.0 OD2 A:ASP305 2.4 60.5 1.0 OD1 A:ASP297 2.4 44.4 1.0 O A:HOH619 2.4 69.3 1.0 OD1 A:ASP301 2.4 71.9 1.0 CG A:ASP305 2.7 52.8 1.0 CG A:ASP301 3.2 64.8 1.0 OD2 A:ASP301 3.3 60.7 1.0 HB2 A:ARG303 3.3 59.6 1.0 C A:ARG303 3.4 45.2 1.0 CG A:ASN299 3.4 55.5 1.0 HA A:ASP297 3.5 68.3 1.0 CG A:ASP297 3.5 55.5 1.0 HD21 A:ASN299 3.5 71.6 1.0 H A:ASN299 3.6 58.9 1.0 H A:ARG303 3.7 69.5 1.0 HD22 A:LEU332 3.8 67.6 1.0 H A:ASP301 3.9 70.1 1.0 ND2 A:ASN299 3.9 59.6 1.0 H A:VAL298 4.0 47.1 1.0 CB A:ARG303 4.0 49.7 1.0 CA A:ARG303 4.1 48.9 1.0 H A:GLN333 4.1 57.2 1.0 CB A:ASP305 4.1 53.2 1.0 HB2 A:ASP297 4.2 65.9 1.0 N A:ARG303 4.2 57.9 1.0 CB A:ASP297 4.2 54.9 1.0 CA A:ASP297 4.2 56.9 1.0 C A:HIS304 4.2 42.7 1.0 O A:HIS304 4.3 49.6 1.0 HB3 A:ARG303 4.3 59.6 1.0 HB3 A:GLN333 4.4 64.9 1.0 OD2 A:ASP297 4.4 64.6 1.0 N A:ASP305 4.4 39.8 1.0 N A:HIS304 4.4 51.4 1.0 N A:ASN299 4.5 49.1 1.0 N A:VAL298 4.5 39.2 1.0 HD23 A:LEU332 4.5 67.6 1.0 HB2 A:ASP305 4.6 63.9 1.0 CD2 A:LEU332 4.6 56.3 1.0 HA A:HIS304 4.6 52.7 1.0 H A:ASP305 4.6 47.8 1.0 CB A:ASP301 4.7 67.2 1.0 N A:ASP301 4.7 58.4 1.0 HB3 A:ASP305 4.7 63.9 1.0 CA A:HIS304 4.7 44.0 1.0 HB3 A:LEU332 4.7 58.4 1.0 HA A:LEU332 4.7 46.9 1.0 CB A:ASN299 4.7 46.8 1.0 CA A:ASP305 4.7 39.5 1.0 HG22 A:VAL298 4.7 54.0 1.0 C A:ASP297 4.7 50.0 1.0 H A:GLY300 4.7 73.4 1.0 HD22 A:ASN299 4.7 71.6 1.0 HA A:ASP305 4.8 47.3 1.0 N A:GLN333 4.8 47.6 1.0 O A:GLN333 4.9 56.9 1.0 HA A:ARG303 5.0 58.7 1.0 CA A:ASN299 5.0 48.7 1.0

Calcium binding site 3 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 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-NH2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:47.3 occ:1.00 O A:TYR371 2.2 54.7 1.0 OD1 A:ASP369 2.4 51.0 1.0 OD1 A:ASP367 2.4 58.2 1.0 OD1 A:ASP365 2.4 43.0 1.0 OD1 A:ASP373 2.4 42.0 1.0 OD2 A:ASP373 2.4 62.5 1.0 O A:HOH625 2.4 29.9 1.0 CG A:ASP373 2.7 56.2 1.0 HA A:ASP365 3.3 62.1 1.0 H A:ASP367 3.4 47.5 1.0 CG A:ASP369 3.4 58.9 1.0 C A:TYR371 3.4 44.2 1.0 CG A:ASP365 3.4 52.8 1.0 H A:TYR371 3.5 64.2 1.0 H A:ASP369 3.5 58.0 1.0 CG A:ASP367 3.5 49.5 1.0 H A:LEU366 3.5 60.8 1.0 HD22 A:LEU393 3.7 44.6 1.0 H A:GLY394 3.8 53.8 1.0 HB2 A:TYR371 3.8 55.9 1.0 OD2 A:ASP369 4.0 72.7 1.0 N A:LEU366 4.0 50.7 1.0 OD2 A:ASP367 4.0 47.2 1.0 H A:ARG368 4.1 54.6 1.0 CA A:ASP365 4.1 51.8 1.0 N A:TYR371 4.1 53.5 1.0 N A:ASP367 4.2 39.6 1.0 HB3 A:LEU393 4.2 59.7 1.0 OD2 A:ASP365 4.2 66.0 1.0 HA A:ASN372 4.2 49.5 1.0 CA A:TYR371 4.2 46.4 1.0 CB A:ASP373 4.2 42.3 1.0 H A:GLY370 4.3 69.7 1.0 N A:ASP369 4.3 48.3 1.0 CB A:ASP365 4.3 48.9 1.0 C A:ASP365 4.3 46.9 1.0 N A:ASN372 4.4 44.8 1.0 C A:ASN372 4.4 40.4 1.0 N A:ASP373 4.5 54.2 1.0 CB A:TYR371 4.5 46.6 1.0 CB A:ASP369 4.5 60.7 1.0 N A:ARG368 4.5 45.5 1.0 HB3 A:ASP369 4.5 72.8 1.0 N A:GLY394 4.6 44.8 1.0 HB3 A:LEU366 4.6 54.8 1.0 H A:ASP373 4.6 65.0 1.0 CD2 A:LEU393 4.6 37.2 1.0 CA A:ASN372 4.6 41.2 1.0 HB2 A:ASP373 4.6 50.7 1.0 HA A:LEU393 4.7 59.9 1.0 HD23 A:LEU393 4.7 44.6 1.0 HB3 A:ASP373 4.7 50.7 1.0 CB A:ASP367 4.7 49.9 1.0 HB2 A:ASP365 4.8 58.7 1.0 N A:GLY370 4.8 58.0 1.0 CA A:ASP367 4.8 41.4 1.0 O A:ASN372 4.9 40.0 1.0 HA3 A:GLY394 4.9 50.8 1.0 CA A:ASP373 4.9 41.4 1.0 CA A:ASP369 4.9 62.0 1.0 HB3 A:TYR371 4.9 55.9 1.0 CA A:LEU366 4.9 47.4 1.0 C A:ASP367 5.0 47.5 1.0 CB A:LEU393 5.0 49.8 1.0 O A:GLY364 5.0 54.0 1.0 C A:LEU366 5.0 41.2 1.0

Calcium binding site 4 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 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-NH2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:65.4 occ:1.00 O A:TYR432 2.2 48.4 1.0 OD1 A:ASP434 2.3 50.4 1.0 OD1 A:ASN430 2.3 62.5 1.0 OD1 A:ASP426 2.4 50.7 1.0 OD1 A:ASP428 2.4 55.8 1.0 OD2 A:ASP434 2.4 58.0 1.0 O A:HOH644 2.4 40.2 1.0 CG A:ASP434 2.6 53.1 1.0 C A:TYR432 3.3 48.1 1.0 CG A:ASN430 3.4 55.7 1.0 HA A:ASP426 3.4 67.8 1.0 CG A:ASP428 3.4 56.9 1.0 H A:TYR432 3.5 63.2 1.0 CG A:ASP426 3.5 53.3 1.0 H A:ASN430 3.5 51.6 1.0 HB2 A:TYR432 3.5 47.8 1.0 H A:ALA450 3.6 53.5 1.0 H A:ASP428 3.6 69.7 1.0 H A:ILE427 3.8 51.7 1.0 HD21 A:ASN430 3.8 72.5 1.0 OD2 A:ASP428 3.8 58.4 1.0 HB3 A:ALA450 3.9 64.6 1.0 ND2 A:ASN430 4.0 60.5 1.0 CA A:TYR432 4.1 43.0 1.0 O A:ALA450 4.1 46.5 1.0 CB A:ASP434 4.1 42.8 1.0 N A:TYR432 4.1 52.7 1.0 CA A:ASP426 4.2 56.5 1.0 CB A:TYR432 4.2 39.8 1.0 HA A:PRO433 4.3 54.5 1.0 HG2 A:ARG449 4.3 65.4 1.0 H A:ASP429 4.3 64.8 1.0 CB A:ASP426 4.3 58.0 1.0 N A:ILE427 4.3 43.1 1.0 N A:ALA450 4.3 44.6 1.0 OD2 A:ASP426 4.3 52.1 1.0 C A:PRO433 4.4 47.2 1.0 N A:PRO433 4.4 53.2 1.0 N A:ASN430 4.4 43.0 1.0 HG22 A:ILE427 4.4 60.4 1.0 N A:ASP434 4.4 50.3 1.0 N A:ASP428 4.4 58.1 1.0 CB A:ASN430 4.5 43.0 1.0 HB3 A:ASN430 4.5 51.6 1.0 HB2 A:ASP426 4.5 69.6 1.0 HA A:ARG449 4.5 39.5 1.0 HB3 A:TYR432 4.5 47.8 1.0 CA A:PRO433 4.5 45.4 1.0 HB2 A:ASP434 4.5 51.4 1.0 HB3 A:ASP434 4.6 51.4 1.0 C A:ASP426 4.6 46.0 1.0 H A:ASP434 4.6 60.4 1.0 HB3 A:ARG449 4.7 51.8 1.0 N A:ASP429 4.7 54.0 1.0 CB A:ASP428 4.7 45.9 1.0 CA A:ASP434 4.7 53.6 1.0 O A:PRO433 4.7 40.7 1.0 HA A:ASP434 4.7 64.3 1.0 H A:GLY431 4.8 56.9 1.0 CB A:ALA450 4.8 53.8 1.0 HD22 A:ASN430 4.8 72.5 1.0 CA A:ASN430 4.9 43.8 1.0 CA A:ALA450 4.9 43.6 1.0 C A:ALA450 5.0 45.6 1.0 CA A:ASP428 5.0 50.5 1.0

Calcium binding site 5 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 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-NH2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca501 b:0.5 occ:1.00 OD1 C:ASP245 2.3 91.5 1.0 O C:ASP247 2.4 0.1 1.0 OE1 C:GLU252 2.4 88.7 1.0 O C:THR250 2.4 90.7 1.0 OE2 C:GLU243 2.4 0.7 1.0 OE2 C:GLU252 2.4 0.6 1.0 OE1 C:GLU243 2.4 0.8 1.0 OG1 C:THR250 2.4 0.1 1.0 CD C:GLU243 2.7 0.1 1.0 CD C:GLU252 2.7 93.6 1.0 C C:THR250 3.0 99.0 1.0 CG C:ASP245 3.2 94.2 1.0 CB C:THR250 3.5 0.1 1.0 OD2 C:ASP245 3.5 92.5 1.0 C C:ASP247 3.6 0.1 1.0 HA C:THR251 3.6 0.7 1.0 CA C:THR250 3.6 0.3 1.0 HB3 C:ASP247 3.7 0.2 1.0 HB C:THR250 3.7 0.7 1.0 H C:THR250 3.8 0.0 1.0 N C:THR251 3.8 97.5 1.0 HA C:GLU243 3.8 0.7 1.0 H C:ASP245 3.9 0.1 1.0 N C:THR250 4.0 0.3 1.0 H C:GLU252 4.0 0.3 1.0 H C:PHE244 4.1 1.0 1.0 CA C:THR251 4.1 95.6 1.0 HA C:LEU248 4.1 0.7 1.0 CG C:GLU243 4.1 0.1 1.0 CG C:GLU252 4.2 97.0 1.0 H C:ASP247 4.3 0.8 1.0 N C:GLU252 4.4 86.0 1.0 CA C:ASP247 4.4 0.2 1.0 HG3 C:GLU243 4.4 0.1 1.0 H C:THR251 4.5 0.9 1.0 N C:ASP247 4.5 0.0 1.0 CB C:ASP247 4.5 0.8 1.0 C C:THR251 4.5 91.3 1.0 HA C:THR250 4.5 0.0 1.0 N C:LEU248 4.5 0.7 1.0 CB C:ASP245 4.6 97.4 1.0 HG3 C:GLU252 4.6 0.4 1.0 HG2 C:GLU252 4.6 0.4 1.0 CA C:LEU248 4.7 96.4 1.0 CA C:GLU243 4.7 83.9 1.0 N C:ASP245 4.7 0.4 1.0 HG2 C:GLU243 4.7 0.1 1.0 C C:LEU248 4.7 0.2 1.0 CG2 C:THR250 4.7 0.2 1.0 HB3 C:ASP245 4.8 0.8 1.0 HB2 C:GLU252 4.8 0.8 1.0 N C:PHE244 4.8 95.8 1.0 CB C:GLU243 4.8 90.9 1.0 HB2 C:GLU243 4.8 0.1 1.0 HG23 C:THR250 4.9 0.3 1.0 O C:LEU248 4.9 93.9 1.0 H C:GLY246 5.0 0.1 1.0 C C:ASN249 5.0 0.2 1.0 O C:GLY242 5.0 79.9 1.0 CB C:GLU252 5.0 92.3 1.0

Calcium binding site 6 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 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-NH2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca502 b:77.4 occ:1.00 OD1 C:ASN299 2.3 76.6 1.0 OD1 C:ASP297 2.4 83.1 1.0 OD2 C:ASP305 2.4 97.3 1.0 OD1 C:ASP305 2.4 99.6 1.0 OD2 C:ASP301 2.4 0.9 1.0 OD1 C:ASP301 2.4 0.8 1.0 O C:ARG303 2.5 91.1 1.0 CG C:ASP301 2.7 0.4 1.0 CG C:ASP305 2.7 88.7 1.0 HD21 C:ASN299 3.1 1.0 1.0 CG C:ASN299 3.3 78.8 1.0 HB2 C:ARG303 3.5 0.9 1.0 CG C:ASP297 3.5 89.3 1.0 ND2 C:ASN299 3.6 90.0 1.0 HA C:ASP297 3.6 99.2 1.0 C C:ARG303 3.6 90.9 1.0 HD22 C:LEU332 3.7 0.8 1.0 H C:ASN299 3.7 91.2 1.0 H C:ARG303 3.9 0.9 1.0 H C:ASP301 3.9 0.8 1.0 H C:VAL298 4.0 89.6 1.0 H C:GLN333 4.1 97.8 1.0 CB C:ASP301 4.2 98.7 1.0 CB C:ASP305 4.2 75.4 1.0 CA C:ARG303 4.3 89.7 1.0 CB C:ARG303 4.3 0.2 1.0 N C:ARG303 4.3 88.2 1.0 CB C:ASP297 4.3 86.2 1.0 HB2 C:ASP297 4.3 0.4 1.0 CA C:ASP297 4.3 82.7 1.0 HD23 C:LEU332 4.3 0.8 1.0 OD2 C:ASP297 4.4 90.0 1.0 HD22 C:ASN299 4.4 1.0 1.0 CD2 C:LEU332 4.5 84.8 1.0 C C:HIS304 4.5 84.4 1.0 HB3 C:ASP301 4.5 0.5 1.0 O C:HIS304 4.5 87.9 1.0 H C:GLY302 4.5 0.8 1.0 HB3 C:LEU332 4.5 0.1 1.0 HB3 C:GLN333 4.5 0.3 1.0 N C:ASN299 4.5 76.0 1.0 N C:VAL298 4.5 74.7 1.0 HB2 C:ASP305 4.6 90.5 1.0 N C:ASP305 4.6 80.0 1.0 HA C:LEU332 4.6 87.4 1.0 N C:HIS304 4.7 0.2 1.0 N C:ASP301 4.7 89.8 1.0 CB C:ASN299 4.7 78.5 1.0 HB3 C:ARG303 4.7 0.9 1.0 HB3 C:ASP305 4.7 90.5 1.0 HB2 C:ASP301 4.7 0.5 1.0 C C:ASP297 4.8 82.3 1.0 HA C:HIS304 4.8 0.1 1.0 HG22 C:VAL298 4.8 89.3 1.0 N C:GLN333 4.8 81.5 1.0 O C:GLN333 4.9 0.8 1.0 CA C:ASP305 4.9 79.8 1.0 H C:ASP305 4.9 96.0 1.0 CA C:HIS304 4.9 95.1 1.0 CA C:ASP301 4.9 99.6 1.0 HA C:ASP305 4.9 95.7 1.0 N C:GLY302 5.0 0.2 1.0

Calcium binding site 7 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 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-NH2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:75.5 occ:1.00 O C:TYR371 2.2 71.5 1.0 OD1 C:ASP367 2.3 80.5 1.0 O C:HOH613 2.4 52.5 1.0 OD1 C:ASP365 2.4 74.2 1.0 OD2 C:ASP373 2.4 86.7 1.0 OD1 C:ASP373 2.4 74.3 1.0 OD1 C:ASP369 2.5 93.6 1.0 CG C:ASP373 2.8 80.7 1.0 H C:ASP367 3.3 88.1 1.0 H C:LEU366 3.3 75.8 1.0 HA C:ASP365 3.4 96.6 1.0 CG C:ASP369 3.4 82.2 1.0 C C:TYR371 3.4 81.1 1.0 CG C:ASP367 3.5 80.7 1.0 CG C:ASP365 3.5 80.1 1.0 H C:TYR371 3.6 0.1 1.0 H C:ASP369 3.6 97.7 1.0 OD2 C:ASP369 3.8 78.3 1.0 HB2 C:TYR371 3.8 96.1 1.0 H C:GLY394 3.8 82.5 1.0 N C:LEU366 3.9 63.1 1.0 HD22 C:LEU393 3.9 88.0 1.0 OD2 C:ASP367 4.0 90.8 1.0 N C:ASP367 4.1 73.4 1.0 H C:ARG368 4.1 85.8 1.0 CA C:ASP365 4.2 80.5 1.0 HA C:ASN372 4.2 87.4 1.0 OD2 C:ASP365 4.2 94.7 1.0 N C:TYR371 4.2 90.1 1.0 CA C:TYR371 4.2 82.2 1.0 CB C:ASP373 4.3 77.2 1.0 C C:ASN372 4.4 74.1 1.0 HB3 C:LEU393 4.4 84.3 1.0 C C:ASP365 4.4 83.0 1.0 CB C:ASP365 4.4 77.1 1.0 N C:ASN372 4.4 83.0 1.0 CB C:TYR371 4.5 80.1 1.0 HB3 C:LEU366 4.5 93.5 1.0 N C:ASP369 4.5 81.4 1.0 H C:GLY370 4.5 0.5 1.0 N C:ASP373 4.6 89.7 1.0 N C:ARG368 4.6 71.5 1.0 CA C:ASN372 4.6 72.8 1.0 N C:GLY394 4.6 68.7 1.0 HB2 C:ASP373 4.7 92.7 1.0 O C:ASN372 4.7 66.2 1.0 CB C:ASP367 4.7 70.9 1.0 HB3 C:ASP373 4.7 92.7 1.0 HA C:LEU393 4.7 83.7 1.0 CB C:ASP369 4.7 70.9 1.0 H C:ASP373 4.7 0.6 1.0 CA C:ASP367 4.8 68.2 1.0 CD2 C:LEU393 4.8 73.3 1.0 HB3 C:TYR371 4.8 96.1 1.0 CA C:LEU366 4.9 65.7 1.0 HA3 C:GLY394 4.9 79.9 1.0 HB2 C:ASP365 4.9 92.5 1.0 C C:ASP367 5.0 74.1 1.0 CA C:ASP373 5.0 86.2 1.0 HB3 C:ASP369 5.0 85.1 1.0 C C:LEU366 5.0 64.2 1.0 HD23 C:LEU393 5.0 88.0 1.0

Calcium binding site 8 out of 8 in the Integrin ALPHAIIBBETA3 in Complex with Agdv-NH2 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-NH2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca504 b:76.5 occ:1.00 O C:TYR432 2.2 75.5 1.0 OD1 C:ASP434 2.3 90.0 1.0 OD1 C:ASP426 2.4 70.9 1.0 OD1 C:ASN430 2.4 85.3 1.0 OD2 C:ASP434 2.4 70.4 1.0 OD1 C:ASP428 2.4 84.3 1.0 CG C:ASP434 2.7 71.5 1.0 CG C:ASP428 3.2 81.5 1.0 HA C:ASP426 3.3 81.9 1.0 OD2 C:ASP428 3.4 74.3 1.0 C C:TYR432 3.4 75.7 1.0 CG C:ASN430 3.4 90.7 1.0 CG C:ASP426 3.5 72.9 1.0 H C:TYR432 3.5 0.3 1.0 H C:ASP428 3.6 0.8 1.0 H C:ALA450 3.6 71.1 1.0 HB2 C:TYR432 3.6 88.8 1.0 H C:ASN430 3.7 0.6 1.0 HB3 C:ALA450 3.7 82.8 1.0 HD21 C:ASN430 3.8 0.4 1.0 H C:ILE427 3.8 74.5 1.0 O C:ALA450 4.0 59.4 1.0 ND2 C:ASN430 4.0 97.0 1.0 CA C:ASP426 4.1 68.2 1.0 N C:TYR432 4.1 85.2 1.0 CA C:TYR432 4.1 77.2 1.0 CB C:ASP434 4.1 56.6 1.0 CB C:ASP426 4.2 74.2 1.0 CB C:TYR432 4.3 74.0 1.0 N C:ALA450 4.3 59.2 1.0 N C:ASP434 4.3 58.5 1.0 N C:ILE427 4.3 62.0 1.0 C C:PRO433 4.4 71.7 1.0 HB2 C:ASP426 4.4 89.0 1.0 HG2 C:ARG449 4.4 76.7 1.0 OD2 C:ASP426 4.4 79.6 1.0 N C:ASP428 4.4 94.0 1.0 N C:PRO433 4.4 78.3 1.0 HG22 C:ILE427 4.5 74.4 1.0 HA C:PRO433 4.5 90.1 1.0 H C:ASP434 4.5 70.2 1.0 HA C:ARG449 4.5 72.8 1.0 H C:ASP429 4.5 0.5 1.0 N C:ASN430 4.5 86.3 1.0 CB C:ASN430 4.5 89.8 1.0 HB3 C:TYR432 4.5 88.8 1.0 HB2 C:ASP434 4.6 67.9 1.0 C C:ASP426 4.6 66.1 1.0 HB3 C:ASN430 4.6 0.7 1.0 CB C:ASP428 4.6 82.1 1.0 CB C:ALA450 4.6 69.0 1.0 CA C:PRO433 4.6 75.1 1.0 HB3 C:ASP434 4.6 67.9 1.0 HA C:ASP434 4.6 64.2 1.0 CA C:ASP434 4.7 53.5 1.0 O C:PRO433 4.7 74.6 1.0 HB3 C:ARG449 4.8 68.9 1.0 CA C:ALA450 4.8 57.7 1.0 H C:GLY431 4.8 87.8 1.0 HD22 C:ASN430 4.8 0.4 1.0 C C:ALA450 4.8 60.1 1.0 N C:ASP429 4.9 95.4 1.0 CA C:ASN430 4.9 78.9 1.0 HB3 C:ASP428 4.9 98.5 1.0 CA C:ASP428 4.9 94.8 1.0 HB2 C:ALA450 5.0 82.8 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