Calcium in PDB 7l8p: Integrin ALPHAIIBBETA3 in Complex with Sibrafiban

The structure of Integrin ALPHAIIBBETA3 in Complex with Sibrafiban, PDB code: 7l8p was solved by F.-Y.Lin, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.22 / 2.35
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	257.5, 144.68, 104.68, 90, 90, 90
R / Rfree (%)	20.4 / 24.5

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

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium atom in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban (pdb code 7l8p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban, PDB code: 7l8p:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


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 Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca505 b:57.5 occ:1.00 OD1 A:ASP245 2.3 61.6 1.0 OG1 A:THR250 2.3 60.4 1.0 OE2 A:GLU243 2.4 45.9 1.0 O A:THR250 2.4 47.5 1.0 OE1 A:GLU243 2.4 41.7 1.0 OE1 A:GLU252 2.4 45.8 1.0 O A:ASP247 2.4 55.8 1.0 OE2 A:GLU252 2.5 46.5 1.0 CD A:GLU243 2.7 45.7 1.0 CD A:GLU252 2.8 39.6 1.0 C A:THR250 3.1 52.9 1.0 CG A:ASP245 3.2 68.0 1.0 H A:THR250 3.4 85.2 1.0 CB A:THR250 3.4 59.5 1.0 OD2 A:ASP245 3.5 62.6 1.0 C A:ASP247 3.6 47.2 1.0 H A:ASP247 3.6 59.8 1.0 HB A:THR250 3.6 71.3 1.0 CA A:THR250 3.6 47.6 1.0 H A:ASP245 3.7 59.2 1.0 HA A:GLU243 3.7 41.6 1.0 N A:THR250 3.9 71.0 1.0 HA A:THR251 3.9 64.6 1.0 HB3 A:ASP247 4.0 70.2 1.0 H A:PHE244 4.0 52.5 1.0 N A:THR251 4.0 44.3 1.0 CG A:GLU243 4.2 47.9 1.0 HA A:LEU248 4.2 64.6 1.0 N A:ASP247 4.2 49.9 1.0 O A:HOH640 4.2 78.0 1.0 CG A:GLU252 4.3 47.6 1.0 CA A:ASP247 4.3 48.3 1.0 CA A:THR251 4.4 53.8 1.0 H A:GLU252 4.4 56.3 1.0 N A:ASP245 4.5 49.4 1.0 CB A:ASP245 4.5 54.0 1.0 HG3 A:GLU243 4.5 57.5 1.0 HA A:THR250 4.5 57.1 1.0 N A:LEU248 4.6 43.3 1.0 CB A:ASP247 4.6 58.5 1.0 CA A:GLU243 4.6 34.6 1.0 N A:GLU252 4.6 46.9 1.0 C A:THR251 4.6 46.6 1.0 HB3 A:ASP245 4.7 64.7 1.0 HG2 A:GLU252 4.7 57.1 1.0 N A:PHE244 4.7 43.7 1.0 HG2 A:GLU243 4.7 57.5 1.0 HG3 A:GLU252 4.7 57.1 1.0 CG2 A:THR250 4.7 60.9 1.0 H A:THR251 4.7 53.1 1.0 CA A:LEU248 4.7 53.8 1.0 H A:GLY246 4.7 77.4 1.0 O A:HOH821 4.7 46.4 1.0 CB A:GLU243 4.8 35.3 1.0 HB2 A:GLU243 4.8 42.4 1.0 HG23 A:THR250 4.8 73.0 1.0 CA A:ASP245 4.9 54.3 1.0 C A:LEU248 4.9 64.3 1.0 HG21 A:THR250 4.9 73.0 1.0 N A:GLY246 4.9 64.5 1.0 HB2 A:GLU252 4.9 41.5 1.0

Calcium binding site 2 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


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 Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca506 b:30.9 occ:1.00 O A:ARG303 2.2 34.6 1.0 OD1 A:ASN299 2.3 36.3 1.0 OD1 A:ASP297 2.4 34.6 1.0 O A:HOH606 2.4 30.9 1.0 OD1 A:ASP305 2.4 34.7 1.0 OD2 A:ASP305 2.5 41.0 1.0 OD1 A:ASP301 2.5 47.3 1.0 CG A:ASP305 2.8 33.2 1.0 CG A:ASP301 3.3 36.7 1.0 HB2 A:ARG303 3.3 43.2 1.0 CG A:ASN299 3.4 41.2 1.0 C A:ARG303 3.4 35.6 1.0 OD2 A:ASP301 3.4 36.2 1.0 HA A:ASP297 3.4 40.7 1.0 H A:ARG303 3.5 42.6 1.0 CG A:ASP297 3.5 35.2 1.0 H A:ASN299 3.5 42.7 1.0 HD21 A:ASN299 3.7 53.1 1.0 H A:ASP301 3.8 67.2 1.0 H A:VAL298 3.9 41.5 1.0 ND2 A:ASN299 4.0 44.2 1.0 HD22 A:LEU332 4.0 48.8 1.0 H A:GLN333 4.0 44.5 1.0 CA A:ARG303 4.0 41.3 1.0 CB A:ARG303 4.1 36.0 1.0 N A:ARG303 4.1 35.5 1.0 HB2 A:ASP297 4.1 42.1 1.0 CA A:ASP297 4.2 33.9 1.0 CB A:ASP297 4.2 35.1 1.0 CB A:ASP305 4.2 31.9 1.0 C A:HIS304 4.3 39.2 1.0 N A:ASN299 4.4 35.6 1.0 HB3 A:GLN333 4.4 46.4 1.0 N A:ASP305 4.4 33.5 1.0 HB3 A:ARG303 4.4 43.2 1.0 N A:VAL298 4.4 34.6 1.0 O A:HIS304 4.5 36.0 1.0 OD2 A:ASP297 4.5 35.6 1.0 N A:HIS304 4.5 44.5 1.0 H A:ASP305 4.6 40.1 1.0 HB2 A:ASP305 4.6 38.3 1.0 CB A:ASN299 4.6 51.0 1.0 H A:GLY300 4.6 46.6 1.0 HA A:HIS304 4.7 40.9 1.0 N A:ASP301 4.7 56.0 1.0 C A:ASP297 4.7 35.5 1.0 CB A:ASP301 4.7 49.7 1.0 HD23 A:LEU332 4.7 48.8 1.0 HG22 A:VAL298 4.7 54.3 1.0 HA A:LEU332 4.7 45.2 1.0 HB3 A:LEU332 4.8 50.2 1.0 CA A:HIS304 4.8 34.0 1.0 CD2 A:LEU332 4.8 40.7 1.0 HB3 A:ASP305 4.8 38.3 1.0 CA A:ASP305 4.8 32.3 1.0 N A:GLN333 4.8 37.1 1.0 HD22 A:ASN299 4.8 53.1 1.0 HA A:ASP305 4.8 38.8 1.0 H A:GLY302 4.9 43.8 1.0 HB3 A:ASN299 4.9 61.2 1.0 CA A:ASN299 4.9 35.8 1.0 N A:GLY300 4.9 38.8 1.0 O A:GLN333 5.0 41.3 1.0 HA A:ARG303 5.0 49.6 1.0

Calcium binding site 3 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


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 Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca507 b:30.9 occ:1.00 O A:TYR371 2.2 37.1 1.0 OD1 A:ASP367 2.3 40.6 1.0 OD1 A:ASP365 2.4 32.4 1.0 O A:HOH644 2.4 30.9 1.0 OD1 A:ASP369 2.4 34.3 1.0 OD1 A:ASP373 2.4 31.4 1.0 OD2 A:ASP373 2.5 30.7 1.0 CG A:ASP373 2.8 30.6 1.0 CG A:ASP369 3.3 37.0 1.0 C A:TYR371 3.4 32.8 1.0 HA A:ASP365 3.4 50.0 1.0 H A:TYR371 3.4 44.3 1.0 H A:ASP367 3.4 39.1 1.0 CG A:ASP365 3.4 36.6 1.0 CG A:ASP367 3.5 33.2 1.0 HB2 A:TYR371 3.5 51.1 1.0 H A:ASP369 3.6 42.6 1.0 HD22 A:LEU393 3.6 38.5 1.0 H A:LEU366 3.7 51.0 1.0 OD2 A:ASP369 3.8 38.2 1.0 OD2 A:ASP367 3.9 33.8 1.0 H A:GLY394 4.0 45.6 1.0 HB3 A:LEU393 4.1 38.8 1.0 N A:TYR371 4.1 36.9 1.0 H A:ARG368 4.1 40.9 1.0 CA A:TYR371 4.1 34.6 1.0 N A:LEU366 4.2 42.5 1.0 CA A:ASP365 4.2 41.7 1.0 OD2 A:ASP365 4.2 33.6 1.0 N A:ASP367 4.2 32.6 1.0 CB A:TYR371 4.3 42.6 1.0 HA A:ASN372 4.3 41.3 1.0 CB A:ASP373 4.3 29.5 1.0 CB A:ASP365 4.4 32.5 1.0 N A:ASP369 4.4 35.5 1.0 N A:ASN372 4.4 32.1 1.0 C A:ASP365 4.5 31.7 1.0 C A:ASN372 4.5 33.1 1.0 CB A:ASP369 4.5 36.8 1.0 CD2 A:LEU393 4.5 32.1 1.0 HB3 A:ASP369 4.6 44.2 1.0 N A:ARG368 4.6 34.1 1.0 H A:GLY370 4.6 57.5 1.0 N A:GLY394 4.6 38.0 1.0 CA A:ASN372 4.6 34.5 1.0 HB3 A:TYR371 4.6 51.1 1.0 HA A:LEU393 4.7 48.1 1.0 HD23 A:LEU393 4.7 38.5 1.0 CB A:ASP367 4.7 33.5 1.0 HB2 A:ASP365 4.7 39.0 1.0 N A:ASP373 4.7 33.6 1.0 O A:ASN372 4.7 33.0 1.0 HB2 A:ASP373 4.7 35.4 1.0 HB3 A:ASP373 4.7 35.4 1.0 HB3 A:LEU366 4.8 39.9 1.0 CA A:ASP367 4.8 36.1 1.0 O A:GLY394 4.9 40.1 1.0 CB A:LEU393 4.9 32.4 1.0 C A:ASP367 4.9 35.9 1.0 CA A:ASP369 4.9 36.9 1.0 HD13 A:LEU393 5.0 49.8 1.0 N A:GLY370 5.0 48.0 1.0 HD2 A:TYR371 5.0 59.7 1.0 H A:ASP373 5.0 40.3 1.0

Calcium binding site 4 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


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 Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca508 b:30.9 occ:1.00 O A:TYR432 2.3 34.3 1.0 OD1 A:ASP428 2.3 39.2 1.0 OD1 A:ASP426 2.3 37.9 1.0 OD1 A:ASN430 2.4 35.8 1.0 O A:HOH614 2.4 30.9 1.0 OD1 A:ASP434 2.4 34.3 1.0 OD2 A:ASP434 2.4 36.0 1.0 CG A:ASP434 2.7 35.5 1.0 CG A:ASP428 3.3 40.8 1.0 CG A:ASN430 3.3 38.0 1.0 H A:TYR432 3.4 42.2 1.0 HA A:ASP426 3.4 43.6 1.0 CG A:ASP426 3.4 37.0 1.0 H A:ASN430 3.4 46.6 1.0 C A:TYR432 3.5 33.9 1.0 H A:ASP428 3.5 48.3 1.0 HB2 A:TYR432 3.6 40.4 1.0 OD2 A:ASP428 3.6 37.8 1.0 H A:ALA450 3.8 47.9 1.0 H A:ILE427 3.8 46.1 1.0 HD21 A:ASN430 3.8 43.5 1.0 ND2 A:ASN430 3.9 36.3 1.0 N A:TYR432 4.1 35.2 1.0 CA A:ASP426 4.1 36.4 1.0 HG2 A:ARG449 4.1 58.1 1.0 HB3 A:ALA450 4.1 45.9 1.0 CA A:TYR432 4.2 34.0 1.0 CB A:ASP426 4.2 36.3 1.0 H A:ASP429 4.2 59.6 1.0 HB3 A:ASN430 4.2 45.3 1.0 CB A:ASP434 4.2 34.0 1.0 OD2 A:ASP426 4.2 37.5 1.0 O A:ALA450 4.3 34.6 1.0 N A:ILE427 4.3 38.4 1.0 N A:ASN430 4.3 38.8 1.0 N A:ASP428 4.3 40.3 1.0 CB A:ASN430 4.3 37.8 1.0 HB2 A:ASP426 4.3 43.6 1.0 CB A:TYR432 4.3 33.7 1.0 HA A:PRO433 4.3 39.4 1.0 HG22 A:ILE427 4.4 62.4 1.0 C A:ASP426 4.5 38.6 1.0 N A:PRO433 4.5 37.9 1.0 N A:ALA450 4.5 40.0 1.0 HA A:ARG449 4.6 42.5 1.0 CB A:ASP428 4.6 40.3 1.0 C A:PRO433 4.6 32.6 1.0 HB2 A:ASP434 4.6 40.8 1.0 N A:ASP434 4.6 32.7 1.0 N A:ASP429 4.6 49.7 1.0 HB3 A:ARG449 4.6 44.0 1.0 CA A:PRO433 4.7 32.8 1.0 HB3 A:TYR432 4.7 40.4 1.0 HB3 A:ASP434 4.7 40.8 1.0 HD22 A:ASN430 4.7 43.5 1.0 CA A:ASN430 4.7 38.2 1.0 H A:GLY431 4.7 44.9 1.0 H A:ASP434 4.8 39.2 1.0 CA A:ASP428 4.8 41.2 1.0 HB3 A:ASP428 4.9 48.4 1.0 CA A:ASP434 4.9 33.4 1.0 N A:GLY431 4.9 37.4 1.0 C A:ASP428 5.0 42.3 1.0 HA A:ASP434 5.0 40.0 1.0 CB A:ALA450 5.0 38.3 1.0 C A:ASN430 5.0 37.4 1.0

Calcium binding site 5 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


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 Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2002 b:67.3 occ:1.00 OD1 B:ASP127 2.3 51.1 1.0 OD1 B:ASP126 2.4 73.2 1.0 O B:HOH2250 2.4 45.8 1.0 O B:SER123 2.5 43.9 1.0 OD2 B:ASP126 2.5 73.5 1.0 O B:MET335 2.5 39.4 1.0 O B:HOH2164 2.6 43.4 1.0 CG B:ASP126 2.8 67.6 1.0 HA B:MET124 3.2 45.8 1.0 CG B:ASP127 3.5 38.7 1.0 HA B:ASP336 3.6 48.0 1.0 H B:ASP127 3.6 64.3 1.0 C B:SER123 3.7 49.1 1.0 C B:MET335 3.8 49.8 1.0 H B:ASP126 3.9 58.8 1.0 CA B:MET124 4.0 38.1 1.0 O B:HOH2113 4.1 60.6 1.0 OD2 B:ASP127 4.1 38.9 1.0 N B:ASP127 4.2 53.6 1.0 CB B:ASP126 4.2 62.8 1.0 N B:MET124 4.3 55.5 1.0 O B:HOH2122 4.3 31.9 1.0 HB3 B:MET335 4.3 79.0 1.0 CA B:ASP336 4.4 40.0 1.0 HB2 B:SER123 4.4 54.5 1.0 N B:ASP126 4.5 49.0 1.0 C B:MET124 4.5 38.9 1.0 N B:ASP336 4.6 40.7 1.0 OD2 B:ASP251 4.6 43.6 1.0 HB2 B:ASP126 4.6 75.4 1.0 CB B:ASP127 4.6 37.9 1.0 HA B:MET335 4.7 61.7 1.0 HB3 B:ASP126 4.8 75.4 1.0 CA B:ASP126 4.8 56.0 1.0 HB2 B:ASP127 4.8 45.4 1.0 CA B:MET335 4.8 51.4 1.0 SD B:MET124 4.8 46.0 1.0 H B:LYS125 4.8 67.2 1.0 HB3 B:ASP336 4.8 64.8 1.0 C B:ASP126 4.8 57.2 1.0 CA B:SER123 4.8 36.2 1.0 N B:LYS125 4.9 56.0 1.0 HA B:SER123 4.9 43.4 1.0 CA B:ASP127 4.9 39.2 1.0

Calcium binding site 6 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


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 Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2003 b:30.9 occ:1.00 O B:PRO219 2.1 33.4 1.0 OD1 B:ASP217 2.3 35.7 1.0 OD1 B:ASN215 2.3 35.9 1.0 OE1 B:GLU220 2.3 32.6 1.0 OD2 B:ASP158 2.4 35.5 1.0 O B:ASP217 2.4 33.7 1.0 HA B:GLU220 2.9 36.1 1.0 C B:PRO219 3.2 29.8 1.0 CG B:ASP217 3.2 32.3 1.0 CG B:ASN215 3.3 34.7 1.0 HD21 B:ASN215 3.3 48.8 1.0 HB2 B:ASP158 3.4 37.2 1.0 CD B:GLU220 3.4 32.0 1.0 CG B:ASP158 3.4 30.7 1.0 C B:ASP217 3.4 32.5 1.0 H B:ASP217 3.6 41.1 1.0 HE2 B:HIS255 3.6 36.0 1.0 OD2 B:ASP217 3.7 31.9 1.0 ND2 B:ASN215 3.7 40.6 1.0 CA B:GLU220 3.7 30.1 1.0 CB B:ASP158 3.8 31.0 1.0 N B:GLU220 3.9 29.4 1.0 HB3 B:ASP158 4.0 37.2 1.0 HD2 B:HIS255 4.1 44.7 1.0 OE2 B:GLU220 4.1 42.4 1.0 C B:ALA218 4.1 31.0 1.0 CA B:ASP217 4.1 34.4 1.0 O B:ALA218 4.1 36.4 1.0 N B:ASP217 4.1 34.2 1.0 HB3 B:TYR164 4.2 43.2 1.0 N B:PRO219 4.2 30.4 1.0 NE2 B:HIS255 4.2 30.0 1.0 CB B:ASP217 4.2 33.1 1.0 HD2 B:PRO219 4.2 45.2 1.0 CA B:PRO219 4.3 30.6 1.0 CG B:GLU220 4.3 30.7 1.0 HG2 B:GLU220 4.4 36.9 1.0 N B:ALA218 4.4 32.9 1.0 CD2 B:HIS255 4.4 37.2 1.0 CB B:GLU220 4.5 29.5 1.0 OD1 B:ASP158 4.5 31.0 1.0 HD1 B:TYR164 4.5 39.4 1.0 HD22 B:ASN215 4.6 48.8 1.0 HB3 B:GLU220 4.6 35.5 1.0 CB B:ASN215 4.7 34.1 1.0 HB2 B:ASN215 4.7 40.9 1.0 H B:GLU220 4.7 35.3 1.0 HB2 B:PRO219 4.7 47.6 1.0 CA B:ALA218 4.7 31.6 1.0 CD B:PRO219 4.8 37.7 1.0 HA B:ALA218 4.8 37.9 1.0 HB2 B:ASP217 4.8 39.7 1.0 C B:GLU220 4.8 37.6 1.0 HB3 B:ASP217 4.9 39.7 1.0

Calcium binding site 7 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


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 Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca506 b:108.9 occ:1.00 OD1 C:ASP245 2.3 56.0 1.0 O C:THR250 2.3 61.3 1.0 O C:ASP247 2.4 74.2 1.0 OG1 C:THR250 2.4 69.5 1.0 OE1 C:GLU243 2.4 68.0 1.0 OE2 C:GLU252 2.4 65.1 1.0 OE2 C:GLU243 2.4 66.5 1.0 OE1 C:GLU252 2.4 64.8 1.0 CD C:GLU243 2.7 67.8 1.0 CD C:GLU252 2.7 64.6 1.0 C C:THR250 2.9 56.7 1.0 CG C:ASP245 3.2 67.4 1.0 CB C:THR250 3.5 68.7 1.0 OD2 C:ASP245 3.5 71.3 1.0 C C:ASP247 3.5 70.3 1.0 HA C:THR251 3.5 70.2 1.0 CA C:THR250 3.6 73.3 1.0 H C:THR250 3.7 108.8 1.0 HA C:GLU243 3.8 63.3 1.0 N C:THR251 3.8 69.2 1.0 H C:ASP245 3.8 86.2 1.0 HB3 C:ASP247 3.8 98.3 1.0 HB C:THR250 3.8 82.4 1.0 N C:THR250 3.9 90.6 1.0 HA C:LEU248 4.0 73.7 1.0 H C:PHE244 4.0 78.2 1.0 CA C:THR251 4.1 58.5 1.0 H C:ASP247 4.1 97.8 1.0 CG C:GLU243 4.2 63.7 1.0 H C:GLU252 4.2 66.5 1.0 CG C:GLU252 4.3 72.4 1.0 CA C:ASP247 4.4 67.3 1.0 N C:ASP247 4.4 81.5 1.0 H C:THR251 4.4 83.1 1.0 N C:GLU252 4.5 55.5 1.0 CB C:ASP245 4.5 63.8 1.0 N C:LEU248 4.5 62.9 1.0 HA C:THR250 4.5 88.0 1.0 C C:THR251 4.5 63.5 1.0 HG3 C:GLU243 4.5 76.5 1.0 CB C:ASP247 4.5 81.9 1.0 N C:ASP245 4.6 71.9 1.0 CA C:LEU248 4.6 61.4 1.0 CA C:GLU243 4.6 52.8 1.0 HG3 C:GLU252 4.6 86.9 1.0 HG2 C:GLU252 4.6 86.9 1.0 HB3 C:ASP245 4.7 76.6 1.0 HG2 C:GLU243 4.7 76.5 1.0 CG2 C:THR250 4.7 67.5 1.0 HB2 C:GLU243 4.7 68.1 1.0 HG23 C:THR250 4.7 81.0 1.0 C C:LEU248 4.7 59.0 1.0 N C:PHE244 4.7 65.2 1.0 CB C:GLU243 4.8 56.8 1.0 H C:GLY246 4.8 77.1 1.0 CA C:ASP245 4.9 56.6 1.0 C C:ASN249 4.9 80.1 1.0 HB2 C:GLU252 4.9 73.3 1.0 O C:HOH692 5.0 65.9 1.0 HG21 C:THR250 5.0 81.0 1.0

Calcium binding site 8 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


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 Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca507 b:54.4 occ:1.00 O C:ARG303 2.3 54.2 1.0 OD1 C:ASN299 2.3 55.2 1.0 OD1 C:ASP297 2.4 53.6 1.0 OD1 C:ASP305 2.4 52.8 1.0 O C:HOH624 2.4 55.0 1.0 OD1 C:ASP301 2.5 64.6 1.0 OD2 C:ASP305 2.5 54.6 1.0 CG C:ASP305 2.7 56.3 1.0 CG C:ASP301 3.3 61.1 1.0 HA C:ASP297 3.3 72.0 1.0 HB2 C:ARG303 3.4 73.7 1.0 CG C:ASN299 3.4 54.8 1.0 CG C:ASP297 3.4 57.8 1.0 C C:ARG303 3.4 59.1 1.0 OD2 C:ASP301 3.5 76.0 1.0 H C:ASN299 3.5 80.1 1.0 H C:ARG303 3.5 69.6 1.0 HD21 C:ASN299 3.6 69.6 1.0 HD22 C:LEU332 3.7 86.0 1.0 H C:VAL298 3.7 63.6 1.0 H C:ASP301 3.8 74.3 1.0 ND2 C:ASN299 3.9 58.0 1.0 HB2 C:ASP297 3.9 75.5 1.0 CA C:ASP297 4.0 60.0 1.0 CB C:ASP297 4.0 62.9 1.0 N C:ARG303 4.1 58.0 1.0 CA C:ARG303 4.1 64.1 1.0 CB C:ARG303 4.1 61.4 1.0 H C:GLN333 4.2 71.6 1.0 CB C:ASP305 4.2 51.1 1.0 N C:VAL298 4.3 53.0 1.0 N C:ASN299 4.3 66.7 1.0 N C:ASP305 4.4 53.3 1.0 C C:HIS304 4.4 51.9 1.0 HD23 C:LEU332 4.4 86.0 1.0 OD2 C:ASP297 4.4 54.5 1.0 H C:ASP305 4.5 64.0 1.0 CD2 C:LEU332 4.5 71.7 1.0 C C:ASP297 4.5 52.1 1.0 HB3 C:ARG303 4.5 73.7 1.0 N C:HIS304 4.5 67.3 1.0 HB3 C:GLN333 4.6 70.0 1.0 HB2 C:ASP305 4.6 61.3 1.0 HG22 C:VAL298 4.6 66.5 1.0 HA C:HIS304 4.6 63.0 1.0 CB C:ASP301 4.6 57.0 1.0 N C:ASP301 4.6 61.9 1.0 CB C:ASN299 4.7 60.7 1.0 O C:HIS304 4.7 68.2 1.0 HB3 C:ASP305 4.7 61.3 1.0 CA C:ASP305 4.8 56.3 1.0 HD22 C:ASN299 4.8 69.6 1.0 CA C:HIS304 4.8 52.5 1.0 HB3 C:LEU332 4.8 66.2 1.0 HA C:ASP305 4.8 67.5 1.0 HA C:LEU332 4.8 61.7 1.0 CA C:ASN299 4.9 59.4 1.0 H C:GLY302 4.9 82.7 1.0 HD21 C:LEU332 4.9 86.0 1.0 H C:GLY300 4.9 65.8 1.0 HB3 C:ASP301 4.9 68.5 1.0 N C:GLN333 5.0 59.7 1.0 HB3 C:ASP297 5.0 75.5 1.0 HB3 C:ASN299 5.0 72.8 1.0 C C:ASN299 5.0 55.1 1.0

Calcium binding site 9 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Integrin ALPHAIIBBETA3 in Complex with Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca508 b:47.5 occ:1.00 O C:TYR371 2.2 50.0 1.0 OD1 C:ASP367 2.3 57.2 1.0 O C:HOH665 2.3 34.7 1.0 OD1 C:ASP365 2.3 52.6 1.0 OD1 C:ASP373 2.4 60.1 1.0 OD2 C:ASP373 2.5 49.1 1.0 OD1 C:ASP369 2.5 52.0 1.0 CG C:ASP373 2.8 48.8 1.0 H C:ASP367 3.3 67.8 1.0 HA C:ASP365 3.4 59.6 1.0 CG C:ASP365 3.4 65.3 1.0 H C:LEU366 3.4 74.1 1.0 C C:TYR371 3.4 51.0 1.0 CG C:ASP367 3.5 56.2 1.0 H C:TYR371 3.5 64.0 1.0 CG C:ASP369 3.5 56.2 1.0 H C:ASP369 3.5 78.8 1.0 HB2 C:TYR371 3.8 73.6 1.0 H C:GLY394 3.9 66.6 1.0 HD22 C:LEU393 3.9 57.6 1.0 OD2 C:ASP367 4.0 52.0 1.0 N C:LEU366 4.0 61.8 1.0 OD2 C:ASP369 4.0 68.1 1.0 H C:ARG368 4.0 72.2 1.0 OD2 C:ASP365 4.1 60.9 1.0 CA C:ASP365 4.1 49.6 1.0 N C:ASP367 4.1 56.5 1.0 HA C:ASN372 4.2 70.0 1.0 N C:TYR371 4.2 53.4 1.0 HB3 C:LEU393 4.2 59.2 1.0 CA C:TYR371 4.2 55.4 1.0 CB C:ASP373 4.3 70.2 1.0 CB C:ASP365 4.3 51.5 1.0 N C:ASP369 4.4 65.7 1.0 C C:ASP365 4.4 64.0 1.0 CB C:TYR371 4.4 61.4 1.0 N C:ASN372 4.4 50.0 1.0 N C:ARG368 4.5 60.2 1.0 C C:ASN372 4.5 49.0 1.0 HB3 C:LEU366 4.6 59.9 1.0 CA C:ASN372 4.6 58.4 1.0 N C:GLY394 4.6 55.5 1.0 N C:ASP373 4.6 47.1 1.0 CB C:ASP367 4.7 59.3 1.0 H C:GLY370 4.7 74.5 1.0 HB2 C:ASP373 4.7 84.2 1.0 CB C:ASP369 4.7 53.9 1.0 HB3 C:ASP373 4.7 84.2 1.0 HA C:LEU393 4.7 71.3 1.0 HB2 C:ASP365 4.8 61.8 1.0 HB3 C:TYR371 4.8 73.6 1.0 CD2 C:LEU393 4.8 48.0 1.0 CA C:ASP367 4.8 50.3 1.0 O C:ASN372 4.8 48.8 1.0 HB3 C:ASP369 4.8 64.7 1.0 H C:ASP373 4.9 56.5 1.0 HD13 C:LEU393 4.9 58.3 1.0 C C:ASP367 4.9 52.3 1.0 CA C:LEU366 4.9 50.6 1.0 O C:GLY394 5.0 65.3 1.0

Calcium binding site 10 out of 12 in the Integrin ALPHAIIBBETA3 in Complex with Sibrafiban


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Integrin ALPHAIIBBETA3 in Complex with Sibrafiban within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca509 b:47.1 occ:1.00 OD1 C:ASP426 2.3 51.7 1.0 OD1 C:ASP434 2.3 48.1 1.0 OD1 C:ASP428 2.3 48.8 1.0 O C:TYR432 2.3 47.9 1.0 OD1 C:ASN430 2.4 51.9 1.0 OD2 C:ASP434 2.4 48.5 1.0 O C:HOH627 2.5 41.2 1.0 CG C:ASP434 2.7 45.7 1.0 CG C:ASP426 3.2 48.8 1.0 HA C:ASP426 3.3 66.9 1.0 H C:TYR432 3.3 64.7 1.0 CG C:ASN430 3.4 50.3 1.0 CG C:ASP428 3.4 56.4 1.0 C C:TYR432 3.5 57.9 1.0 H C:ASP428 3.5 71.8 1.0 H C:ASN430 3.5 74.4 1.0 HB2 C:TYR432 3.5 77.0 1.0 H C:ALA450 3.8 56.0 1.0 OD2 C:ASP428 3.9 53.6 1.0 H C:ILE427 3.9 55.2 1.0 CA C:ASP426 4.0 55.8 1.0 N C:TYR432 4.0 53.9 1.0 OD2 C:ASP426 4.0 65.6 1.0 CB C:ASP426 4.0 51.0 1.0 HD21 C:ASN430 4.0 74.9 1.0 HB3 C:ALA450 4.1 63.1 1.0 CA C:TYR432 4.1 49.4 1.0 HG2 C:ARG449 4.1 81.9 1.0 ND2 C:ASN430 4.1 62.4 1.0 HB2 C:ASP426 4.2 61.2 1.0 CB C:TYR432 4.2 64.2 1.0 CB C:ASP434 4.2 46.4 1.0 O C:ALA450 4.3 50.2 1.0 HB3 C:ASN430 4.3 61.6 1.0 N C:ASN430 4.3 62.0 1.0 N C:ASP428 4.3 59.8 1.0 N C:ILE427 4.3 46.0 1.0 CB C:ASN430 4.4 51.3 1.0 H C:ASP429 4.4 75.7 1.0 HB3 C:TYR432 4.5 77.0 1.0 C C:ASP426 4.5 59.3 1.0 N C:ALA450 4.5 46.7 1.0 N C:PRO433 4.5 53.3 1.0 HA C:PRO433 4.5 56.0 1.0 HG22 C:ILE427 4.5 53.7 1.0 N C:ASP434 4.5 44.3 1.0 HA C:ARG449 4.5 53.6 1.0 C C:PRO433 4.6 45.8 1.0 HB2 C:ASP434 4.6 55.6 1.0 CB C:ASP428 4.7 49.1 1.0 H C:ASP434 4.7 53.2 1.0 HB3 C:ASP434 4.7 55.6 1.0 N C:ASP429 4.7 63.1 1.0 HB3 C:ARG449 4.7 54.4 1.0 CA C:PRO433 4.7 46.7 1.0 CA C:ASN430 4.8 51.0 1.0 H C:GLY431 4.8 71.8 1.0 CA C:ASP434 4.9 42.3 1.0 CA C:ASP428 4.9 55.8 1.0 HA C:ASP434 4.9 50.8 1.0 HD22 C:ASN430 4.9 74.9 1.0 CB C:ALA450 4.9 52.6 1.0 HB3 C:ASP428 4.9 58.9 1.0 C C:ASN430 4.9 51.3 1.0 HB3 C:ASP426 4.9 61.2 1.0 C C:ASP428 5.0 52.8 1.0 N C:GLY431 5.0 59.8 1.0 CG C:ARG449 5.0 68.2 1.0

F.-Y.Lin, T.A.Springer. Small, Closure-Stabilizing Integrin Antagonists and Their Mechanism of Action To Be Published.