Calcium in PDB 3ze0: Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex

The structure of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex, PDB code: 3ze0 was solved by J.H.Zhu, J.Q.Zhu, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.312 / 2.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	259.640, 144.680, 104.590, 90.00, 90.00, 90.00
R / Rfree (%)	18.47 / 24.27

The structure of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex also contains other interesting chemical elements:

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

The binding sites of Calcium atom in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex (pdb code 3ze0). 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 Alphaiib BETA3 Headpiece and Rgd Peptide Complex, PDB code: 3ze0:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2004 b:49.0 occ:1.00 OD1 A:ASP245 2.3 57.9 1.0 OG1 A:THR250 2.3 44.2 1.0 O A:THR250 2.3 46.8 1.0 O A:ASP247 2.3 69.7 1.0 OE2 A:GLU243 2.4 63.6 1.0 OE1 A:GLU252 2.4 60.4 1.0 OE2 A:GLU252 2.4 54.8 1.0 OE1 A:GLU243 2.4 57.4 1.0 CD A:GLU243 2.7 58.6 1.0 CD A:GLU252 2.7 58.4 1.0 CG A:ASP245 3.1 64.3 1.0 C A:THR250 3.1 52.2 1.0 OD2 A:ASP245 3.3 66.6 1.0 CB A:THR250 3.4 50.3 1.0 H A:THR250 3.5 91.2 1.0 C A:ASP247 3.5 57.3 1.0 CA A:THR250 3.7 62.8 1.0 HB3 A:ASP247 3.8 78.0 1.0 HB A:THR250 3.8 60.3 1.0 H A:ASP245 3.8 79.7 1.0 HA A:GLU243 3.8 64.5 1.0 HA A:THR251 3.8 67.2 1.0 N A:THR250 4.0 76.0 1.0 N A:THR251 4.0 56.3 1.0 HA A:LEU248 4.0 58.8 1.0 H A:PHE244 4.1 59.3 1.0 CG A:GLU243 4.2 47.3 1.0 CG A:GLU252 4.2 53.0 1.0 CA A:THR251 4.3 56.0 1.0 CB A:ASP245 4.4 63.7 1.0 CA A:ASP247 4.4 57.0 1.0 H A:GLU252 4.4 53.0 1.0 H A:ASP247 4.4 68.5 1.0 N A:ASP247 4.5 57.1 1.0 CB A:ASP247 4.5 65.0 1.0 N A:ASP245 4.5 66.4 1.0 HG2 A:GLU252 4.5 63.6 1.0 N A:LEU248 4.5 44.3 1.0 HG3 A:GLU243 4.5 56.8 1.0 HB3 A:ASP245 4.5 76.4 1.0 HG3 A:GLU252 4.6 63.6 1.0 N A:GLU252 4.6 44.1 1.0 HA A:THR250 4.6 75.3 1.0 CA A:LEU248 4.6 49.0 1.0 CA A:GLU243 4.7 53.7 1.0 C A:THR251 4.7 50.6 1.0 CG2 A:THR250 4.7 48.8 1.0 HG2 A:GLU243 4.7 56.8 1.0 N A:PHE244 4.7 49.5 1.0 H A:THR251 4.7 67.6 1.0 HG21 A:THR250 4.7 58.5 1.0 H A:GLY246 4.8 84.3 1.0 CA A:ASP245 4.8 66.0 1.0 CB A:GLU243 4.8 44.0 1.0 HB2 A:GLU243 4.9 52.8 1.0 C A:LEU248 4.9 58.9 1.0 O A:HOH4088 4.9 53.7 1.0 HG22 A:THR250 4.9 58.5 1.0 N A:GLY246 4.9 70.3 1.0 HD21 A:LEU248 4.9 80.2 1.0 C A:ASP245 5.0 62.0 1.0

Calcium binding site 2 out of 8 in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2005 b:40.8 occ:1.00 O A:ARG303 2.2 45.7 1.0 OD1 A:ASP301 2.3 53.8 1.0 OD1 A:ASN299 2.4 31.6 1.0 OD1 A:ASP297 2.4 47.3 1.0 O A:HOH4113 2.4 54.1 1.0 OD1 A:ASP305 2.4 50.3 1.0 OD2 A:ASP305 2.4 54.1 1.0 CG A:ASP305 2.7 47.0 1.0 CG A:ASP301 3.2 50.3 1.0 HB2 A:ARG303 3.3 55.3 1.0 C A:ARG303 3.3 47.4 1.0 OD2 A:ASP301 3.4 65.0 1.0 CG A:ASN299 3.4 32.6 1.0 H A:ARG303 3.5 52.8 1.0 HD22 A:ASN299 3.5 43.8 1.0 HA A:ASP297 3.5 50.9 1.0 CG A:ASP297 3.5 49.7 1.0 H A:ASN299 3.6 47.5 1.0 H A:ASP301 3.8 46.9 1.0 ND2 A:ASN299 3.8 36.5 1.0 HD23 A:LEU332 3.9 34.6 1.0 CA A:ARG303 3.9 49.0 1.0 CB A:ARG303 4.0 46.0 1.0 H A:VAL298 4.0 46.5 1.0 N A:ARG303 4.0 44.0 1.0 H A:GLN333 4.1 48.8 1.0 CB A:ASP305 4.2 41.1 1.0 HB3 A:ARG303 4.2 55.3 1.0 CA A:ASP297 4.3 42.4 1.0 N A:ASP305 4.3 43.2 1.0 H A:ASP305 4.3 51.8 1.0 CB A:ASP297 4.3 51.3 1.0 HB3 A:GLN333 4.3 51.0 1.0 HB2 A:ASP297 4.4 61.5 1.0 N A:ASN299 4.4 39.6 1.0 C A:HIS304 4.4 37.3 1.0 OD2 A:ASP297 4.4 44.7 1.0 N A:VAL298 4.5 38.8 1.0 N A:HIS304 4.5 47.0 1.0 HD21 A:LEU332 4.5 34.6 1.0 CB A:ASP301 4.5 37.8 1.0 HB2 A:ASP305 4.6 49.4 1.0 N A:ASP301 4.6 39.1 1.0 CD2 A:LEU332 4.6 28.8 1.0 CA A:ASP305 4.7 47.9 1.0 C A:ASP297 4.7 43.6 1.0 HB3 A:LEU332 4.7 36.5 1.0 HD21 A:ASN299 4.7 43.8 1.0 HA A:LEU332 4.7 38.3 1.0 HB3 A:ASP305 4.7 49.4 1.0 CB A:ASN299 4.7 30.7 1.0 HA A:ASP305 4.7 57.5 1.0 HA A:HIS304 4.7 49.8 1.0 HB3 A:ASP301 4.7 45.3 1.0 N A:GLN333 4.8 40.6 1.0 HG23 A:VAL298 4.8 37.7 1.0 CA A:HIS304 4.8 41.5 1.0 O A:HIS304 4.8 45.5 1.0 H A:GLY300 4.8 57.5 1.0 HA A:ARG303 4.9 58.7 1.0 CA A:ASN299 5.0 36.6 1.0 O A:GLN333 5.0 62.6 1.0 CA A:ASP301 5.0 36.8 1.0 H A:GLY302 5.0 50.6 1.0

Calcium binding site 3 out of 8 in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2006 b:38.8 occ:1.00 O A:TYR371 2.2 40.7 1.0 OD1 A:ASP367 2.3 48.4 1.0 O A:HOH4140 2.3 21.6 1.0 OD1 A:ASP365 2.4 32.9 1.0 OD1 A:ASP369 2.4 53.1 1.0 OD1 A:ASP373 2.4 51.3 1.0 OD2 A:ASP373 2.4 39.2 1.0 CG A:ASP373 2.8 40.3 1.0 H A:ASP367 3.4 55.9 1.0 C A:TYR371 3.4 37.8 1.0 HA A:ASP365 3.4 55.9 1.0 CG A:ASP367 3.4 47.2 1.0 CG A:ASP369 3.5 49.6 1.0 H A:TYR371 3.5 65.8 1.0 HD23 A:LEU393 3.5 34.8 1.0 H A:ASP369 3.6 40.4 1.0 CG A:ASP365 3.6 51.4 1.0 H A:LEU366 3.7 52.3 1.0 HB2 A:TYR371 3.7 56.8 1.0 H A:GLY394 3.8 44.7 1.0 OD2 A:ASP367 3.9 48.0 1.0 OD2 A:ASP369 4.0 52.5 1.0 H A:ARG368 4.1 55.7 1.0 N A:TYR371 4.1 54.9 1.0 HB3 A:LEU393 4.1 34.0 1.0 N A:LEU366 4.2 43.6 1.0 CA A:TYR371 4.2 47.5 1.0 CA A:ASP365 4.2 46.6 1.0 N A:ASP367 4.2 46.6 1.0 HA A:ASN372 4.3 35.9 1.0 CB A:ASP373 4.3 41.1 1.0 H A:GLY370 4.4 47.0 1.0 OD2 A:ASP365 4.4 63.9 1.0 C A:ASN372 4.4 36.3 1.0 CD2 A:LEU393 4.4 29.0 1.0 N A:ASP369 4.4 33.6 1.0 CB A:TYR371 4.4 47.3 1.0 N A:ASN372 4.4 35.1 1.0 HD21 A:LEU393 4.5 34.8 1.0 C A:ASP365 4.5 46.7 1.0 CB A:ASP365 4.5 53.6 1.0 N A:ASP373 4.5 39.6 1.0 N A:GLY394 4.5 37.2 1.0 CA A:ASN372 4.6 29.9 1.0 N A:ARG368 4.6 46.4 1.0 CB A:ASP369 4.6 47.5 1.0 HA A:LEU393 4.6 42.1 1.0 H A:ASP373 4.6 47.6 1.0 HB3 A:ASP369 4.7 57.0 1.0 HB2 A:ASP373 4.7 49.3 1.0 CB A:ASP367 4.7 34.5 1.0 O A:ASN372 4.7 28.0 1.0 HB3 A:LEU366 4.7 34.4 1.0 HB3 A:ASP373 4.7 49.3 1.0 HB3 A:TYR371 4.8 56.8 1.0 N A:GLY370 4.9 39.2 1.0 CA A:ASP367 4.9 33.1 1.0 HB2 A:ASP365 4.9 64.3 1.0 O A:GLY394 4.9 41.0 1.0 HA3 A:GLY394 4.9 42.7 1.0 CA A:ASP373 4.9 42.4 1.0 CB A:LEU393 4.9 28.3 1.0 O A:GLY364 5.0 40.2 1.0 HD22 A:LEU393 5.0 34.8 1.0 CA A:ASP369 5.0 38.9 1.0

Calcium binding site 4 out of 8 in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2007 b:39.9 occ:1.00 O A:TYR432 2.3 52.8 1.0 OD1 A:ASP428 2.3 42.3 1.0 OD1 A:ASP426 2.3 49.9 1.0 OD1 A:ASN430 2.4 41.6 1.0 OD1 A:ASP434 2.4 52.9 1.0 O A:HOH4160 2.4 43.8 1.0 OD2 A:ASP434 2.4 47.7 1.0 CG A:ASP434 2.7 46.7 1.0 CG A:ASP428 3.3 42.1 1.0 CG A:ASN430 3.3 40.4 1.0 HA A:ASP426 3.4 60.1 1.0 H A:ASN430 3.4 52.1 1.0 C A:TYR432 3.4 46.1 1.0 H A:TYR432 3.5 56.8 1.0 H A:ASP428 3.5 46.9 1.0 CG A:ASP426 3.5 48.9 1.0 HB2 A:TYR432 3.6 47.9 1.0 OD2 A:ASP428 3.7 42.0 1.0 H A:ALA450 3.8 43.5 1.0 H A:ILE427 3.9 58.5 1.0 HG2 A:ARG449 4.0 52.3 1.0 HD22 A:ASN430 4.0 48.9 1.0 HB1 A:ALA450 4.0 45.9 1.0 ND2 A:ASN430 4.1 40.7 1.0 O A:ALA450 4.1 37.6 1.0 N A:TYR432 4.1 47.3 1.0 H A:ASP429 4.2 69.3 1.0 CA A:TYR432 4.2 41.7 1.0 HB3 A:ASN430 4.2 36.2 1.0 CB A:ASP434 4.2 38.1 1.0 CA A:ASP426 4.2 50.1 1.0 N A:ASN430 4.2 43.4 1.0 CB A:ASN430 4.3 30.1 1.0 CB A:TYR432 4.3 39.9 1.0 OD2 A:ASP426 4.3 44.1 1.0 N A:ASP428 4.3 39.1 1.0 N A:ILE427 4.3 48.8 1.0 HG23 A:ILE427 4.4 62.7 1.0 CB A:ASP426 4.4 55.8 1.0 N A:ALA450 4.5 36.2 1.0 N A:PRO433 4.5 42.5 1.0 HA A:PRO433 4.5 46.7 1.0 C A:PRO433 4.5 47.9 1.0 HA A:ARG449 4.6 44.3 1.0 N A:ASP434 4.6 44.6 1.0 HB2 A:ASP434 4.6 45.7 1.0 CB A:ASP428 4.6 38.5 1.0 N A:ASP429 4.6 57.8 1.0 C A:ASP426 4.6 47.6 1.0 HB3 A:TYR432 4.7 47.9 1.0 H A:GLY431 4.7 51.4 1.0 HB3 A:ASP434 4.7 45.7 1.0 HB2 A:ASP426 4.7 67.0 1.0 CA A:PRO433 4.7 38.9 1.0 CA A:ASN430 4.7 31.7 1.0 H A:ASP434 4.8 53.5 1.0 HA A:ASP434 4.8 45.0 1.0 HB3 A:ARG449 4.8 42.6 1.0 HB3 A:ASP428 4.8 46.2 1.0 CA A:ASP434 4.8 37.5 1.0 O A:PRO433 4.8 49.6 1.0 CA A:ASP428 4.9 32.5 1.0 HD21 A:ASN430 4.9 48.9 1.0 CB A:ALA450 4.9 38.2 1.0 N A:GLY431 4.9 42.8 1.0 CG A:ARG449 4.9 43.6 1.0 C A:ASP428 5.0 42.5 1.0 C A:ASN430 5.0 35.5 1.0 C A:ALA450 5.0 45.4 1.0

Calcium binding site 5 out of 8 in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca2004 b:0.4 occ:1.00 OD1 C:ASP245 2.3 96.2 1.0 O C:ASP247 2.4 0.8 1.0 OE2 C:GLU243 2.4 0.8 1.0 OG1 C:THR250 2.4 0.1 1.0 OE1 C:GLU243 2.4 0.4 1.0 O C:THR250 2.4 98.7 1.0 OE2 C:GLU252 2.4 93.7 1.0 OE1 C:GLU252 2.4 0.5 1.0 CD C:GLU243 2.7 0.2 1.0 CD C:GLU252 2.7 95.2 1.0 C C:THR250 2.9 0.7 1.0 CG C:ASP245 3.2 98.2 1.0 H C:THR250 3.3 0.8 1.0 CB C:THR250 3.3 0.0 1.0 OD2 C:ASP245 3.4 93.6 1.0 CA C:THR250 3.5 0.6 1.0 C C:ASP247 3.5 0.1 1.0 HA C:THR251 3.5 0.5 1.0 HB C:THR250 3.6 0.1 1.0 N C:THR251 3.6 0.5 1.0 N C:THR250 3.7 0.5 1.0 HA C:LEU248 3.9 0.5 1.0 HB3 C:ASP247 3.9 0.1 1.0 HA C:GLU243 3.9 0.2 1.0 H C:ASP245 4.0 0.7 1.0 H C:GLU252 4.0 0.1 1.0 CA C:THR251 4.0 0.8 1.0 CG C:GLU243 4.2 97.2 1.0 CG C:GLU252 4.2 91.8 1.0 H C:THR251 4.3 0.1 1.0 N C:GLU252 4.3 91.8 1.0 H C:PHE244 4.3 1.0 1.0 HA C:THR250 4.4 0.5 1.0 N C:LEU248 4.4 0.1 1.0 CA C:ASP247 4.4 0.5 1.0 CA C:LEU248 4.4 0.9 1.0 HG3 C:GLU243 4.5 0.6 1.0 C C:LEU248 4.5 0.7 1.0 CB C:ASP245 4.5 0.4 1.0 C C:THR251 4.5 0.9 1.0 N C:ASP247 4.5 0.3 1.0 H C:ASP247 4.6 0.5 1.0 HG2 C:GLU252 4.6 0.1 1.0 HG3 C:GLU252 4.6 0.1 1.0 CB C:ASP247 4.6 0.1 1.0 CG2 C:THR250 4.7 0.3 1.0 HG2 C:GLU243 4.7 0.6 1.0 HB3 C:ASP245 4.7 0.8 1.0 O C:LEU248 4.7 0.1 1.0 N C:ASP245 4.7 0.7 1.0 CA C:GLU243 4.8 97.7 1.0 HB2 C:GLU243 4.8 0.7 1.0 HG21 C:THR250 4.8 0.8 1.0 CB C:GLU243 4.8 94.8 1.0 C C:ASN249 4.9 1.0 1.0 H C:GLY246 4.9 0.3 1.0 N C:ASN249 4.9 0.3 1.0 HG22 C:THR250 5.0 0.8 1.0

Calcium binding site 6 out of 8 in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca2005 b:90.5 occ:1.00 O C:ARG303 2.2 95.7 1.0 OD1 C:ASP301 2.3 0.7 1.0 OD1 C:ASN299 2.4 69.3 1.0 OD1 C:ASP297 2.4 94.8 1.0 OD2 C:ASP305 2.4 91.3 1.0 O C:HOH4027 2.4 94.9 1.0 OD1 C:ASP305 2.4 90.1 1.0 CG C:ASP305 2.7 84.7 1.0 CG C:ASP301 3.2 99.8 1.0 HA C:ASP297 3.3 0.6 1.0 C C:ARG303 3.4 95.0 1.0 CG C:ASN299 3.4 75.5 1.0 OD2 C:ASP301 3.4 0.6 1.0 H C:ASN299 3.5 0.9 1.0 CG C:ASP297 3.5 96.0 1.0 HB2 C:ARG303 3.5 0.7 1.0 HD22 C:ASN299 3.6 93.2 1.0 H C:ARG303 3.6 0.3 1.0 H C:ASP301 3.8 0.7 1.0 H C:VAL298 3.9 0.9 1.0 ND2 C:ASN299 3.9 77.7 1.0 HD23 C:LEU332 4.0 0.3 1.0 CA C:ASP297 4.1 88.0 1.0 H C:GLN333 4.1 0.9 1.0 CA C:ARG303 4.1 98.2 1.0 N C:ARG303 4.1 97.8 1.0 CB C:ASP305 4.1 73.8 1.0 CB C:ASP297 4.2 95.5 1.0 N C:ASP305 4.3 79.4 1.0 C C:HIS304 4.3 84.5 1.0 CB C:ARG303 4.3 99.7 1.0 HB2 C:ASP297 4.3 0.6 1.0 N C:VAL298 4.3 86.6 1.0 N C:ASN299 4.3 85.8 1.0 H C:ASP305 4.4 95.3 1.0 N C:HIS304 4.4 95.2 1.0 OD2 C:ASP297 4.5 93.2 1.0 HG23 C:VAL298 4.5 93.9 1.0 HA C:HIS304 4.5 0.1 1.0 C C:ASP297 4.5 86.1 1.0 O C:HIS304 4.5 90.9 1.0 HD21 C:LEU332 4.5 0.3 1.0 HB3 C:GLN333 4.5 0.2 1.0 CB C:ASP301 4.6 91.4 1.0 HB2 C:ASP305 4.6 88.6 1.0 N C:ASP301 4.6 95.6 1.0 CB C:ASN299 4.7 74.6 1.0 CA C:HIS304 4.7 87.6 1.0 CA C:ASP305 4.7 76.8 1.0 HB3 C:ASP305 4.7 88.6 1.0 CD2 C:LEU332 4.7 87.7 1.0 HD21 C:ASN299 4.7 93.2 1.0 HB3 C:ARG303 4.7 0.7 1.0 HA C:ASP305 4.7 92.2 1.0 HA C:LEU332 4.8 0.2 1.0 HB3 C:ASP301 4.8 0.7 1.0 HB3 C:LEU332 4.8 0.1 1.0 H C:GLY300 4.8 0.2 1.0 H C:GLY302 4.9 0.7 1.0 N C:GLN333 4.9 85.7 1.0 CA C:ASN299 4.9 77.7 1.0 HB3 C:ASN299 4.9 89.5 1.0

Calcium binding site 7 out of 8 in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca2006 b:69.1 occ:1.00 O C:TYR371 2.2 86.2 1.0 OD1 C:ASP367 2.3 75.3 1.0 OD1 C:ASP365 2.4 79.2 1.0 O C:HOH4033 2.4 56.9 1.0 OD1 C:ASP369 2.4 95.4 1.0 OD2 C:ASP373 2.4 78.0 1.0 OD1 C:ASP373 2.4 70.4 1.0 CG C:ASP373 2.7 69.9 1.0 H C:ASP367 3.2 92.2 1.0 HA C:ASP365 3.3 92.8 1.0 CG C:ASP369 3.4 94.9 1.0 C C:TYR371 3.4 87.4 1.0 H C:TYR371 3.5 0.4 1.0 CG C:ASP367 3.5 71.5 1.0 H C:ASP369 3.5 95.3 1.0 H C:LEU366 3.5 94.3 1.0 CG C:ASP365 3.6 88.7 1.0 OD2 C:ASP369 3.8 98.4 1.0 HD23 C:LEU393 3.9 62.9 1.0 HB2 C:TYR371 3.9 0.4 1.0 N C:LEU366 3.9 78.6 1.0 OD2 C:ASP367 4.0 73.6 1.0 N C:ASP367 4.0 76.8 1.0 H C:GLY394 4.1 95.5 1.0 CA C:ASP365 4.1 77.3 1.0 N C:TYR371 4.1 86.2 1.0 HA C:ASN372 4.1 88.9 1.0 H C:ARG368 4.2 0.8 1.0 CA C:TYR371 4.2 88.0 1.0 CB C:ASP373 4.3 64.8 1.0 H C:GLY370 4.3 0.8 1.0 C C:ASP365 4.3 79.9 1.0 N C:ASP369 4.4 79.4 1.0 HB3 C:LEU393 4.4 74.3 1.0 C C:ASN372 4.4 77.8 1.0 HB3 C:LEU366 4.4 75.4 1.0 N C:ASN372 4.4 81.3 1.0 CB C:ASP365 4.4 85.0 1.0 OD2 C:ASP365 4.5 92.9 1.0 N C:ASP373 4.5 81.0 1.0 CA C:ASN372 4.5 74.1 1.0 N C:ARG368 4.5 85.7 1.0 CB C:ASP369 4.5 84.5 1.0 CB C:TYR371 4.5 90.3 1.0 HB3 C:ASP369 4.6 0.4 1.0 HB2 C:ASP373 4.7 77.8 1.0 H C:ASP373 4.7 97.2 1.0 CB C:ASP367 4.7 67.7 1.0 O C:ASN372 4.7 77.3 1.0 HB3 C:ASP373 4.7 77.8 1.0 CA C:ASP367 4.7 68.8 1.0 HA C:LEU393 4.8 69.0 1.0 CD2 C:LEU393 4.8 52.4 1.0 N C:GLY394 4.8 79.5 1.0 CA C:LEU366 4.8 70.9 1.0 O C:GLY364 4.8 75.0 1.0 N C:GLY370 4.9 89.0 1.0 C C:ASP367 4.9 77.0 1.0 HB2 C:ASP365 4.9 1.0 1.0 HD11 C:LEU393 4.9 68.1 1.0 C C:LEU366 4.9 76.3 1.0 CA C:ASP373 4.9 70.5 1.0 HB3 C:TYR371 5.0 0.4 1.0 CA C:ASP369 5.0 81.7 1.0

Calcium binding site 8 out of 8 in the Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Integrin Alphaiib BETA3 Headpiece and Rgd Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca2007 b:65.2 occ:1.00 O C:TYR432 2.2 75.5 1.0 OD1 C:ASN430 2.3 54.6 1.0 OD1 C:ASP428 2.3 58.0 1.0 OD1 C:ASP434 2.3 61.0 1.0 OD1 C:ASP426 2.4 77.0 1.0 OD2 C:ASP434 2.4 67.3 1.0 O C:HOH4048 2.4 64.7 1.0 CG C:ASP434 2.6 60.5 1.0 HA C:ASP426 3.1 84.2 1.0 CG C:ASP428 3.3 65.6 1.0 CG C:ASP426 3.4 83.1 1.0 C C:TYR432 3.4 75.0 1.0 H C:ASP428 3.4 88.5 1.0 CG C:ASN430 3.5 51.3 1.0 H C:ASN430 3.5 79.5 1.0 H C:TYR432 3.6 98.3 1.0 OD2 C:ASP428 3.7 60.5 1.0 H C:ILE427 3.8 79.0 1.0 HB2 C:TYR432 3.8 87.6 1.0 H C:ALA450 3.8 77.1 1.0 CA C:ASP426 3.9 70.2 1.0 HB1 C:ALA450 4.1 60.0 1.0 CB C:ASP426 4.1 80.3 1.0 CB C:ASP434 4.1 51.0 1.0 N C:TYR432 4.1 81.9 1.0 CA C:TYR432 4.2 78.3 1.0 HB2 C:ASP426 4.2 96.4 1.0 N C:ILE427 4.2 65.8 1.0 C C:PRO433 4.3 66.9 1.0 OD2 C:ASP426 4.3 84.5 1.0 N C:ASP428 4.3 73.8 1.0 HD22 C:ASN430 4.3 65.7 1.0 HB3 C:ASN430 4.3 54.8 1.0 HA C:PRO433 4.3 79.7 1.0 N C:ASP434 4.4 57.7 1.0 N C:ASN430 4.4 66.2 1.0 O C:ALA450 4.4 47.1 1.0 ND2 C:ASN430 4.4 54.7 1.0 N C:PRO433 4.4 72.1 1.0 C C:ASP426 4.4 68.2 1.0 CB C:ASN430 4.4 45.6 1.0 H C:ASP429 4.4 0.6 1.0 CB C:TYR432 4.4 73.0 1.0 HG23 C:ILE427 4.5 52.6 1.0 HG2 C:ARG449 4.5 72.5 1.0 HB2 C:ASP434 4.5 61.2 1.0 CA C:PRO433 4.5 66.4 1.0 O C:PRO433 4.5 71.8 1.0 CB C:ASP428 4.6 67.6 1.0 H C:ASP434 4.6 69.3 1.0 N C:ALA450 4.6 64.3 1.0 HB3 C:ASP434 4.7 61.2 1.0 HA C:ASP434 4.7 56.0 1.0 CA C:ASP434 4.7 46.7 1.0 HA C:ARG449 4.7 77.8 1.0 H C:GLY431 4.7 84.3 1.0 N C:ASP429 4.7 93.8 1.0 HB3 C:TYR432 4.7 87.6 1.0 CA C:ASP428 4.8 75.4 1.0 CA C:ASN430 4.8 49.9 1.0 HB3 C:ASP428 4.9 81.1 1.0 HB3 C:ARG449 4.9 73.0 1.0 CB C:ALA450 4.9 50.0 1.0 C C:ASP428 4.9 82.1 1.0 N C:GLY431 4.9 70.3 1.0 HB3 C:ASP426 5.0 96.4 1.0

J.Zhu, J.Zhu, T.A.Springer. Complete Integrin Headpiece Opening in Eight Steps. J.Cell Biol. V. 201 1053 2013.
ISSN: ISSN 0021-9525
PubMed: 23798730
DOI: 10.1083/JCB.201212037