Calcium in PDB 7tmz: Integrin ALAPHIIBBETA3 Complex with Bms Compound 4

The structure of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4, PDB code: 7tmz 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)	49.38 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	258.89, 144.21, 105.12, 90, 90, 90
R / Rfree (%)	21.4 / 24.1

The structure of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Magnesium	(Mg)	2 atoms

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

Binding sites:

The binding sites of Calcium atom in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 (pdb code 7tmz). 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 ALAPHIIBBETA3 Complex with Bms Compound 4, PDB code: 7tmz:
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 ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:56.2 occ:1.00 OD1 A:ASP245 2.3 65.7 1.0 O A:THR250 2.3 62.1 1.0 O A:ASP247 2.3 72.1 1.0 OG1 A:THR250 2.4 66.6 1.0 OE2 A:GLU243 2.4 50.0 1.0 OE1 A:GLU243 2.4 55.9 1.0 OE1 A:GLU252 2.4 58.4 1.0 OE2 A:GLU252 2.5 57.1 1.0 CD A:GLU243 2.7 53.3 1.0 CD A:GLU252 2.8 50.1 1.0 CG A:ASP245 3.1 66.0 1.0 C A:THR250 3.1 65.0 1.0 OD2 A:ASP245 3.3 61.2 1.0 C A:ASP247 3.4 63.9 1.0 H A:THR250 3.4 45.1 1.0 CB A:THR250 3.5 74.3 1.0 H A:ASP247 3.5 45.1 1.0 HB3 A:ASP247 3.5 45.1 1.0 CA A:THR250 3.7 70.2 1.0 H A:ASP245 3.7 45.1 1.0 HB A:THR250 3.7 45.1 1.0 N A:THR250 3.9 84.6 1.0 HA A:GLU243 3.9 45.1 1.0 N A:ASP247 4.0 67.4 1.0 HA A:THR251 4.1 45.1 1.0 CA A:ASP247 4.1 68.3 1.0 H A:PHE244 4.1 45.1 1.0 N A:THR251 4.1 64.3 1.0 HA A:LEU248 4.1 45.1 1.0 CG A:GLU243 4.2 48.1 1.0 CB A:ASP247 4.2 76.7 1.0 CG A:GLU252 4.3 50.0 1.0 H A:GLU252 4.3 45.1 1.0 CB A:ASP245 4.4 61.3 1.0 N A:LEU248 4.4 67.4 1.0 N A:ASP245 4.5 63.3 1.0 H A:GLY246 4.5 45.1 1.0 CA A:THR251 4.5 62.5 1.0 HB3 A:ASP245 4.6 45.1 1.0 O A:HOH640 4.6 72.0 1.0 HA A:THR250 4.6 45.1 1.0 HG3 A:GLU243 4.6 45.1 1.0 CA A:LEU248 4.6 71.0 1.0 HG2 A:GLU252 4.6 45.1 1.0 N A:GLU252 4.7 54.9 1.0 HG3 A:GLU252 4.7 45.1 1.0 CG2 A:THR250 4.7 83.2 1.0 CA A:GLU243 4.7 45.4 1.0 HG2 A:GLU243 4.7 45.1 1.0 N A:GLY246 4.8 65.1 1.0 N A:PHE244 4.8 45.1 1.0 C A:LEU248 4.8 71.2 1.0 CA A:ASP245 4.8 66.9 1.0 HG23 A:THR250 4.8 45.1 1.0 H A:THR251 4.8 45.1 1.0 HB2 A:GLU243 4.9 45.1 1.0 CB A:GLU243 4.9 48.0 1.0 C A:THR251 4.9 57.4 1.0 O A:HOH615 4.9 60.7 1.0 C A:ASP245 4.9 59.8 1.0 H A:ASN249 5.0 45.1 1.0 CG A:ASP247 5.0 76.4 1.0 N A:ASN249 5.0 74.1 1.0 HG21 A:THR250 5.0 45.1 1.0 HB2 A:ASP247 5.0 45.1 1.0 HA A:ASP247 5.0 45.1 1.0

Calcium binding site 2 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:45.9 occ:1.00 OD1 A:ASN299 2.2 56.2 1.0 OD1 A:ASP297 2.4 70.1 1.0 O A:ARG303 2.4 45.4 1.0 O A:HOH622 2.4 41.5 1.0 OD1 A:ASP301 2.4 96.6 1.0 OD1 A:ASP305 2.5 54.3 1.0 OD2 A:ASP305 2.5 71.7 1.0 CG A:ASP305 2.8 47.4 1.0 CG A:ASP301 3.2 55.8 1.0 OD2 A:ASP301 3.3 56.2 1.0 HB2 A:ARG303 3.3 45.1 1.0 CG A:ASN299 3.3 52.2 1.0 H A:ASN299 3.5 45.1 1.0 CG A:ASP297 3.5 48.0 1.0 H A:ARG303 3.5 45.1 1.0 C A:ARG303 3.5 56.2 1.0 HD21 A:ASN299 3.6 45.1 1.0 HA A:ASP297 3.6 45.1 1.0 HD22 A:LEU332 3.8 45.1 1.0 H A:ASP301 3.8 45.1 1.0 ND2 A:ASN299 3.8 62.9 1.0 H A:VAL298 4.0 45.1 1.0 CB A:ARG303 4.1 49.7 1.0 CA A:ARG303 4.1 55.6 1.0 N A:ARG303 4.1 50.0 1.0 H A:GLN333 4.2 45.1 1.0 HB2 A:ASP297 4.2 45.1 1.0 CB A:ASP297 4.2 45.2 1.0 CB A:ASP305 4.3 47.5 1.0 CA A:ASP297 4.3 43.2 1.0 N A:ASN299 4.3 45.7 1.0 OD2 A:ASP297 4.4 49.8 1.0 N A:VAL298 4.5 47.5 1.0 HB3 A:ARG303 4.5 45.1 1.0 HB3 A:GLN333 4.5 45.1 1.0 N A:ASP305 4.5 40.5 1.0 CB A:ASN299 4.6 56.2 1.0 C A:HIS304 4.6 43.5 1.0 H A:GLY300 4.6 45.1 1.0 CB A:ASP301 4.6 60.8 1.0 HB2 A:ASP305 4.6 45.1 1.0 H A:ASP305 4.6 45.1 1.0 N A:ASP301 4.6 56.9 1.0 N A:HIS304 4.7 50.7 1.0 HB3 A:LEU332 4.7 45.1 1.0 CD2 A:LEU332 4.7 49.5 1.0 C A:ASP297 4.7 45.0 1.0 HG22 A:VAL298 4.7 45.1 1.0 HD23 A:LEU332 4.7 45.1 1.0 HD22 A:ASN299 4.7 45.1 1.0 H A:GLY302 4.8 45.1 1.0 HA A:LEU332 4.8 45.1 1.0 HB3 A:ASP305 4.8 45.1 1.0 O A:HIS304 4.8 47.1 1.0 CA A:ASN299 4.8 52.6 1.0 HA A:ASP305 4.8 45.1 1.0 CA A:ASP305 4.8 40.5 1.0 HB3 A:ASN299 4.9 45.1 1.0 N A:GLY300 4.9 54.1 1.0 HA A:HIS304 4.9 45.1 1.0 N A:GLN333 4.9 46.6 1.0 HB3 A:ASP301 4.9 45.1 1.0 C A:ASN299 5.0 54.0 1.0 CA A:HIS304 5.0 46.8 1.0

Calcium binding site 3 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca505 b:38.7 occ:1.00 O A:TYR371 2.2 47.1 1.0 O A:HOH627 2.3 34.5 1.0 OD1 A:ASP367 2.3 49.6 1.0 OD1 A:ASP365 2.3 40.2 1.0 OD1 A:ASP369 2.4 43.1 1.0 OD2 A:ASP373 2.5 45.8 1.0 OD1 A:ASP373 2.6 39.0 1.0 CG A:ASP373 2.9 46.8 1.0 CG A:ASP369 3.3 47.9 1.0 C A:TYR371 3.4 40.8 1.0 CG A:ASP367 3.4 46.7 1.0 H A:ASP367 3.4 45.1 1.0 CG A:ASP365 3.4 43.5 1.0 H A:TYR371 3.5 45.1 1.0 HA A:ASP365 3.5 45.1 1.0 HB2 A:TYR371 3.5 45.1 1.0 H A:ASP369 3.6 45.1 1.0 HD22 A:LEU393 3.7 45.1 1.0 OD2 A:ASP369 3.7 47.1 1.0 H A:LEU366 3.7 45.1 1.0 OD2 A:ASP367 3.9 48.5 1.0 H A:GLY394 3.9 45.1 1.0 CA A:TYR371 4.1 44.7 1.0 N A:TYR371 4.1 50.1 1.0 HB3 A:LEU393 4.1 45.1 1.0 N A:LEU366 4.2 48.7 1.0 H A:ARG368 4.2 45.1 1.0 OD2 A:ASP365 4.2 46.5 1.0 CA A:ASP365 4.2 43.5 1.0 CB A:TYR371 4.2 48.1 1.0 N A:ASP367 4.2 49.1 1.0 HA A:ASN372 4.3 45.1 1.0 CB A:ASP365 4.3 39.2 1.0 CB A:ASP373 4.4 45.4 1.0 N A:ASP369 4.4 49.2 1.0 C A:ASP365 4.4 47.3 1.0 N A:ASN372 4.5 48.7 1.0 CB A:ASP369 4.5 53.5 1.0 C A:ASN372 4.5 40.6 1.0 CD2 A:LEU393 4.6 43.7 1.0 HB3 A:TYR371 4.6 45.1 1.0 N A:GLY394 4.6 46.4 1.0 N A:ARG368 4.6 47.0 1.0 HB3 A:ASP369 4.6 45.1 1.0 HB2 A:ASP365 4.7 45.1 1.0 H A:GLY370 4.7 45.1 1.0 CB A:ASP367 4.7 49.6 1.0 CA A:ASN372 4.7 42.2 1.0 HD23 A:LEU393 4.7 45.1 1.0 HA A:LEU393 4.7 45.1 1.0 N A:ASP373 4.7 45.2 1.0 O A:ASN372 4.8 41.6 1.0 HB3 A:LEU366 4.8 45.1 1.0 HB2 A:ASP373 4.8 45.1 1.0 HB3 A:ASP373 4.8 45.1 1.0 CA A:ASP367 4.8 39.8 1.0 O A:GLY394 4.9 47.6 1.0 HA3 A:GLY394 4.9 45.1 1.0 HD13 A:LEU393 4.9 45.1 1.0 CA A:ASP369 4.9 45.1 1.0 CB A:LEU393 4.9 43.9 1.0 HD2 A:TYR371 4.9 45.1 1.0 H A:ASP373 5.0 45.1 1.0 C A:ASP367 5.0 41.2 1.0

Calcium binding site 4 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca506 b:43.8 occ:1.00 OD1 A:ASP428 2.3 51.5 1.0 OD1 A:ASP426 2.3 46.3 1.0 O A:TYR432 2.4 56.0 1.0 O A:HOH633 2.4 47.6 1.0 OD1 A:ASN430 2.4 58.5 1.0 OD1 A:ASP434 2.4 50.8 1.0 OD2 A:ASP434 2.5 53.3 1.0 CG A:ASP434 2.8 45.5 1.0 CG A:ASN430 3.2 51.9 1.0 CG A:ASP428 3.3 48.4 1.0 CG A:ASP426 3.3 42.1 1.0 H A:TYR432 3.4 45.1 1.0 H A:ASN430 3.4 45.1 1.0 HA A:ASP426 3.4 45.1 1.0 C A:TYR432 3.5 38.5 1.0 H A:ASP428 3.5 45.1 1.0 HB2 A:TYR432 3.6 45.1 1.0 OD2 A:ASP428 3.6 50.3 1.0 HD21 A:ASN430 3.8 45.1 1.0 H A:ILE427 3.8 45.1 1.0 ND2 A:ASN430 3.9 52.1 1.0 OD2 A:ASP426 4.1 45.4 1.0 N A:TYR432 4.1 44.5 1.0 H A:ALA450 4.1 45.1 1.0 HB3 A:ALA450 4.1 45.1 1.0 CA A:ASP426 4.1 45.2 1.0 HB3 A:ASN430 4.1 45.1 1.0 CB A:ASP426 4.2 44.6 1.0 CA A:TYR432 4.2 38.4 1.0 O A:ALA450 4.2 40.1 1.0 N A:ASN430 4.2 48.0 1.0 HG2 A:ARG449 4.2 45.1 1.0 CB A:ASN430 4.2 47.4 1.0 N A:ILE427 4.3 39.5 1.0 CB A:ASP434 4.3 48.5 1.0 CB A:TYR432 4.3 40.1 1.0 H A:ASP429 4.3 45.1 1.0 HB2 A:ASP426 4.3 45.1 1.0 N A:ASP428 4.3 40.3 1.0 HG22 A:ILE427 4.5 45.1 1.0 C A:ASP426 4.5 46.0 1.0 CB A:ASP428 4.6 45.3 1.0 HA A:PRO433 4.6 45.1 1.0 HD22 A:ASN430 4.6 45.1 1.0 H A:GLY431 4.6 45.1 1.0 N A:PRO433 4.6 53.1 1.0 N A:ASP429 4.7 51.5 1.0 N A:ALA450 4.7 38.6 1.0 HB3 A:TYR432 4.7 45.1 1.0 HB2 A:ASP434 4.7 45.1 1.0 N A:ASP434 4.7 37.5 1.0 CA A:ASN430 4.7 46.3 1.0 C A:PRO433 4.7 42.8 1.0 HA A:ARG449 4.7 45.1 1.0 HB3 A:ASP434 4.7 45.1 1.0 H A:ASP434 4.8 45.1 1.0 HB3 A:ARG449 4.8 45.1 1.0 CA A:PRO433 4.8 42.4 1.0 CA A:ASP428 4.9 45.9 1.0 N A:GLY431 4.9 52.0 1.0 HB3 A:ASP428 4.9 45.1 1.0 C A:ASP428 5.0 52.5 1.0 CB A:ALA450 5.0 49.1 1.0 CA A:ASP434 5.0 40.0 1.0

Calcium binding site 5 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2002 b:55.1 occ:1.00 OD1 B:ASP126 2.4 60.7 1.0 OD1 B:ASP127 2.4 54.1 1.0 O B:HOH2206 2.4 51.1 1.0 O B:MET335 2.4 52.1 1.0 O B:HOH2119 2.4 49.4 1.0 O B:SER123 2.4 50.8 1.0 OD2 B:ASP126 2.5 60.7 1.0 CG B:ASP126 2.7 56.2 1.0 HA B:MET124 3.2 45.1 1.0 CG B:ASP127 3.6 47.8 1.0 HA B:ASP336 3.6 45.1 1.0 C B:SER123 3.6 48.5 1.0 C B:MET335 3.7 54.9 1.0 H B:ASP127 3.8 45.1 1.0 O B:HOH2103 4.0 53.2 1.0 H B:ASP126 4.0 45.1 1.0 CA B:MET124 4.1 49.0 1.0 OD2 B:ASP127 4.1 49.4 1.0 HB2 B:SER123 4.2 45.1 1.0 O B:HOH2122 4.2 46.5 1.0 CB B:ASP126 4.3 55.5 1.0 HB3 B:MET335 4.3 45.1 1.0 N B:MET124 4.3 47.3 1.0 OD2 B:ASP251 4.4 49.5 1.0 N B:ASP127 4.4 52.4 1.0 CA B:ASP336 4.4 51.8 1.0 N B:ASP336 4.5 49.5 1.0 HA B:MET335 4.6 45.1 1.0 HB2 B:ASP126 4.6 45.1 1.0 CA B:MET335 4.7 59.8 1.0 N B:ASP126 4.7 57.0 1.0 C B:MET124 4.7 47.1 1.0 CB B:ASP127 4.7 47.0 1.0 HB3 B:ASP126 4.7 45.1 1.0 SD B:MET124 4.7 53.9 1.0 CA B:SER123 4.8 49.8 1.0 HB3 B:ASP336 4.8 45.1 1.0 HG B:SER123 4.8 45.1 1.0 HB2 B:ASP127 4.8 45.1 1.0 HA B:SER123 4.8 45.1 1.0 CB B:SER123 4.9 49.3 1.0 CA B:ASP126 4.9 56.4 1.0 H B:LYS125 5.0 45.1 1.0 CB B:MET335 5.0 76.7 1.0

Calcium binding site 6 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2003 b:41.5 occ:1.00 O B:PRO219 2.1 37.3 1.0 OD1 B:ASN215 2.3 41.7 1.0 OD1 B:ASP217 2.3 42.8 1.0 OE1 B:GLU220 2.3 39.6 1.0 OD2 B:ASP158 2.4 35.4 1.0 O B:ASP217 2.5 38.7 1.0 HA B:GLU220 3.1 45.1 1.0 CG B:ASP217 3.1 48.2 1.0 HB2 B:ASP158 3.3 45.1 1.0 C B:PRO219 3.3 35.5 1.0 CG B:ASP158 3.4 42.5 1.0 CG B:ASN215 3.4 48.0 1.0 CD B:GLU220 3.5 43.8 1.0 C B:ASP217 3.5 34.8 1.0 H B:ASP217 3.5 45.1 1.0 HE2 B:HIS255 3.6 45.1 1.0 HD21 B:ASN215 3.6 45.1 1.0 OD2 B:ASP217 3.6 43.3 1.0 CB B:ASP158 3.7 37.7 1.0 HB3 B:ASP158 3.8 45.1 1.0 HB3 B:TYR164 3.9 45.1 1.0 CA B:GLU220 3.9 44.0 1.0 ND2 B:ASN215 3.9 51.9 1.0 N B:GLU220 4.1 38.7 1.0 N B:ASP217 4.1 42.9 1.0 CA B:ASP217 4.1 43.2 1.0 HD2 B:HIS255 4.1 45.1 1.0 OE2 B:GLU220 4.1 36.0 1.0 CB B:ASP217 4.2 49.2 1.0 NE2 B:HIS255 4.2 42.4 1.0 HD2 B:PRO219 4.3 45.1 1.0 C B:ALA218 4.3 35.4 1.0 N B:PRO219 4.3 39.9 1.0 O B:ALA218 4.3 43.5 1.0 CA B:PRO219 4.4 45.1 1.0 CG B:GLU220 4.5 42.6 1.0 HD1 B:TYR164 4.5 45.1 1.0 CD2 B:HIS255 4.5 38.0 1.0 OD1 B:ASP158 4.5 35.3 1.0 N B:ALA218 4.5 44.3 1.0 HB2 B:ASN215 4.6 45.1 1.0 HG2 B:GLU220 4.6 45.1 1.0 CB B:GLU220 4.6 44.6 1.0 CB B:ASN215 4.6 40.9 1.0 HB2 B:PRO219 4.7 45.1 1.0 HB2 B:ASP217 4.7 45.1 1.0 HB3 B:GLU220 4.8 45.1 1.0 CB B:TYR164 4.8 42.1 1.0 HD22 B:ASN215 4.8 45.1 1.0 CD B:PRO219 4.8 40.6 1.0 HB3 B:ASP217 4.9 45.1 1.0 HA B:TYR164 4.9 45.1 1.0 H B:GLU220 4.9 45.1 1.0 CA B:ALA218 4.9 43.0 1.0 HE3 B:MET187 4.9 45.1 0.6 CD1 B:TYR164 4.9 42.7 1.0 H B:ARG216 4.9 45.1 1.0 H B:GLY221 5.0 45.1 1.0

Calcium binding site 7 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca506 b:89.8 occ:1.00 O C:ASP247 2.3 90.3 1.0 OD1 C:ASP245 2.3 81.1 1.0 OE2 C:GLU243 2.3 85.2 1.0 OG1 C:THR250 2.4 102.4 1.0 O C:THR250 2.4 88.2 1.0 OE1 C:GLU252 2.4 85.3 1.0 OE2 C:GLU252 2.5 83.8 1.0 OE1 C:GLU243 2.5 79.4 1.0 CD C:GLU243 2.7 83.5 1.0 CD C:GLU252 2.8 81.8 1.0 C C:THR250 3.0 88.9 1.0 CG C:ASP245 3.2 89.0 1.0 OD2 C:ASP245 3.4 95.3 1.0 CB C:THR250 3.5 96.7 1.0 C C:ASP247 3.5 99.8 1.0 HA C:THR251 3.5 45.1 1.0 CA C:THR250 3.6 93.8 1.0 H C:THR250 3.7 45.1 1.0 HB3 C:ASP247 3.7 45.1 1.0 H C:ASP245 3.7 45.1 1.0 N C:THR251 3.7 86.6 1.0 HB C:THR250 3.8 45.1 1.0 HA C:GLU243 3.9 45.1 1.0 N C:THR250 3.9 97.8 1.0 H C:PHE244 4.0 45.1 1.0 HA C:LEU248 4.0 45.1 1.0 CA C:THR251 4.1 87.3 1.0 H C:ASP247 4.2 45.1 1.0 CG C:GLU243 4.2 86.0 1.0 CA C:ASP247 4.3 104.8 1.0 H C:GLU252 4.3 45.1 1.0 CG C:GLU252 4.3 84.1 1.0 N C:ASP247 4.3 105.3 1.0 H C:THR251 4.4 45.1 1.0 CB C:ASP247 4.4 107.6 1.0 CB C:ASP245 4.4 90.7 1.0 N C:LEU248 4.5 103.0 1.0 C C:THR251 4.5 80.5 1.0 N C:GLU252 4.5 75.3 1.0 HG3 C:GLU243 4.5 45.1 1.0 N C:ASP245 4.5 99.8 1.0 HA C:THR250 4.5 45.1 1.0 CA C:LEU248 4.6 96.7 1.0 HB3 C:ASP245 4.6 45.1 1.0 H C:GLY246 4.6 45.1 1.0 HG2 C:GLU252 4.6 45.1 1.0 HG3 C:GLU252 4.7 45.1 1.0 CG2 C:THR250 4.7 96.8 1.0 CA C:GLU243 4.7 81.3 1.0 HG2 C:GLU243 4.7 45.1 1.0 HG23 C:THR250 4.7 45.1 1.0 C C:LEU248 4.7 94.8 1.0 N C:PHE244 4.8 86.5 1.0 N C:GLY246 4.9 98.4 1.0 CB C:GLU243 4.9 85.6 1.0 HB2 C:GLU243 4.9 45.1 1.0 CA C:ASP245 4.9 96.1 1.0 HB2 C:GLU252 4.9 45.1 1.0 HG21 C:THR250 5.0 45.1 1.0 O C:LEU248 5.0 90.2 1.0

Calcium binding site 8 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


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 Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca507 b:71.3 occ:1.00 OD1 C:ASN299 2.3 72.2 1.0 OD1 C:ASP301 2.4 83.1 1.0 O C:ARG303 2.4 80.0 1.0 OD1 C:ASP297 2.4 73.0 1.0 OD1 C:ASP305 2.4 72.8 1.0 O C:HOH602 2.4 64.7 1.0 OD2 C:ASP305 2.4 74.5 1.0 CG C:ASP305 2.7 72.8 1.0 CG C:ASP301 3.2 82.4 1.0 HA C:ASP297 3.3 45.1 1.0 OD2 C:ASP301 3.4 86.2 1.0 CG C:ASN299 3.4 72.4 1.0 CG C:ASP297 3.4 75.9 1.0 H C:ASN299 3.4 45.1 1.0 C C:ARG303 3.5 78.9 1.0 HB2 C:ARG303 3.6 45.1 1.0 HD21 C:ASN299 3.6 45.1 1.0 H C:ARG303 3.7 45.1 1.0 H C:ASP301 3.7 45.1 1.0 HD22 C:LEU332 3.8 45.1 1.0 H C:VAL298 3.8 45.1 1.0 ND2 C:ASN299 3.9 85.7 1.0 HB2 C:ASP297 4.0 45.1 1.0 CA C:ASP297 4.1 75.4 1.0 CB C:ASP297 4.1 83.5 1.0 CB C:ASP305 4.2 64.0 1.0 N C:ARG303 4.2 82.5 1.0 CA C:ARG303 4.2 82.1 1.0 N C:ASN299 4.3 71.8 1.0 H C:GLN333 4.3 45.1 1.0 N C:VAL298 4.3 72.0 1.0 CB C:ARG303 4.3 87.8 1.0 N C:ASP305 4.4 72.0 1.0 OD2 C:ASP297 4.4 74.2 1.0 H C:ASP305 4.4 45.1 1.0 C C:HIS304 4.5 67.8 1.0 HD23 C:LEU332 4.5 45.1 1.0 C C:ASP297 4.5 69.8 1.0 N C:ASP301 4.5 77.7 1.0 CB C:ASP301 4.5 84.2 1.0 HB2 C:ASP305 4.6 45.1 1.0 CD2 C:LEU332 4.6 82.6 1.0 N C:HIS304 4.6 81.8 1.0 HG22 C:VAL298 4.6 45.1 1.0 HA C:HIS304 4.6 45.1 1.0 CB C:ASN299 4.7 69.0 1.0 HB3 C:ARG303 4.7 45.1 1.0 H C:GLY300 4.7 45.1 1.0 H C:GLY302 4.7 45.1 1.0 HB3 C:ASP305 4.7 45.1 1.0 HB3 C:GLN333 4.7 45.1 1.0 CA C:ASP305 4.8 71.5 1.0 HB3 C:LEU332 4.8 45.1 1.0 O C:HIS304 4.8 74.3 1.0 HD22 C:ASN299 4.8 45.1 1.0 HB3 C:ASP301 4.8 45.1 1.0 HA C:ASP305 4.8 45.1 1.0 CA C:HIS304 4.8 72.7 1.0 CA C:ASN299 4.8 75.5 1.0 HA C:LEU332 4.9 45.1 1.0 N C:GLY300 4.9 78.4 1.0 C C:ASN299 4.9 74.7 1.0 CA C:ASP301 5.0 86.0 1.0 HB3 C:ASN299 5.0 45.1 1.0

Calcium binding site 9 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca508 b:59.1 occ:1.00 O C:TYR371 2.3 60.3 1.0 OD1 C:ASP367 2.3 64.3 1.0 O C:HOH622 2.3 58.9 1.0 OD1 C:ASP365 2.3 61.6 1.0 OD1 C:ASP369 2.4 66.3 1.0 OD2 C:ASP373 2.5 56.8 1.0 OD1 C:ASP373 2.5 68.8 1.0 CG C:ASP373 2.8 64.2 1.0 H C:ASP367 3.3 45.1 1.0 CG C:ASP369 3.3 72.4 1.0 CG C:ASP365 3.4 72.1 1.0 H C:LEU366 3.4 45.1 1.0 HA C:ASP365 3.4 45.1 1.0 C C:TYR371 3.5 65.4 1.0 CG C:ASP367 3.5 73.2 1.0 H C:TYR371 3.5 45.1 1.0 H C:ASP369 3.5 45.1 1.0 HB2 C:TYR371 3.7 45.1 1.0 OD2 C:ASP369 3.7 72.5 1.0 HD22 C:LEU393 3.8 45.1 1.0 H C:GLY394 3.9 45.1 1.0 OD2 C:ASP367 4.0 75.0 1.0 N C:LEU366 4.0 68.8 1.0 OD2 C:ASP365 4.0 72.7 1.0 N C:ASP367 4.1 74.9 1.0 N C:TYR371 4.1 68.9 1.0 H C:ARG368 4.2 45.1 1.0 CA C:ASP365 4.2 66.0 1.0 CA C:TYR371 4.2 62.4 1.0 HB3 C:LEU393 4.2 45.1 1.0 CB C:ASP365 4.3 64.2 1.0 CB C:ASP373 4.4 65.0 1.0 CB C:TYR371 4.4 66.3 1.0 N C:ASP369 4.4 68.9 1.0 HA C:ASN372 4.4 45.1 1.0 C C:ASP365 4.4 69.6 1.0 H C:GLY370 4.4 45.1 1.0 HB3 C:LEU366 4.5 45.1 1.0 N C:ASN372 4.5 66.4 1.0 CB C:ASP369 4.5 68.5 1.0 N C:ARG368 4.5 68.5 1.0 C C:ASN372 4.6 62.2 1.0 HB3 C:ASP369 4.6 45.1 1.0 N C:GLY394 4.6 70.0 1.0 CB C:ASP367 4.7 72.4 1.0 HA C:LEU393 4.7 45.1 1.0 CD2 C:LEU393 4.7 66.0 1.0 N C:ASP373 4.7 59.0 1.0 CA C:ASN372 4.7 58.3 1.0 HB3 C:TYR371 4.7 45.1 1.0 HB2 C:ASP373 4.8 45.1 1.0 HB2 C:ASP365 4.8 45.1 1.0 HB3 C:ASP373 4.8 45.1 1.0 CA C:ASP367 4.8 72.1 1.0 O C:ASN372 4.9 62.9 1.0 HD23 C:LEU393 4.9 45.1 1.0 CA C:LEU366 4.9 70.3 1.0 C C:ASP367 4.9 68.2 1.0 H C:ASP373 4.9 45.1 1.0 N C:GLY370 5.0 72.1 1.0 O C:GLY394 5.0 68.9 1.0 CA C:ASP369 5.0 68.2 1.0 C C:LEU366 5.0 75.0 1.0

Calcium binding site 10 out of 12 in the Integrin ALAPHIIBBETA3 Complex with Bms Compound 4


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Integrin ALAPHIIBBETA3 Complex with Bms Compound 4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca509 b:58.1 occ:1.00 O C:TYR432 2.3 69.9 1.0 OD1 C:ASP426 2.3 59.9 1.0 OD1 C:ASP428 2.3 54.4 1.0 OD1 C:ASP434 2.4 69.9 1.0 OD2 C:ASP434 2.4 64.7 1.0 OD1 C:ASN430 2.4 73.0 1.0 O C:HOH605 2.4 59.1 1.0 CG C:ASP434 2.7 60.7 1.0 HA C:ASP426 3.3 45.1 1.0 CG C:ASP426 3.3 63.4 1.0 CG C:ASP428 3.4 64.9 1.0 CG C:ASN430 3.4 70.0 1.0 H C:TYR432 3.4 45.1 1.0 C C:TYR432 3.5 65.6 1.0 H C:ASP428 3.5 45.1 1.0 H C:ASN430 3.5 45.1 1.0 HB2 C:TYR432 3.7 45.1 1.0 H C:ALA450 3.7 45.1 1.0 OD2 C:ASP428 3.8 58.8 1.0 HB3 C:ALA450 3.9 45.1 1.0 H C:ILE427 3.9 45.1 1.0 HD21 C:ASN430 4.0 45.1 1.0 CA C:ASP426 4.0 62.8 1.0 CB C:ASP426 4.1 65.4 1.0 OD2 C:ASP426 4.1 64.6 1.0 ND2 C:ASN430 4.1 73.6 1.0 N C:TYR432 4.1 70.4 1.0 CB C:ASP434 4.1 51.3 1.0 CA C:TYR432 4.2 64.1 1.0 HG2 C:ARG449 4.2 45.1 1.0 HB2 C:ASP426 4.2 45.1 1.0 HB3 C:ASN430 4.2 45.1 1.0 O C:ALA450 4.3 59.9 1.0 CB C:TYR432 4.3 71.7 1.0 N C:ILE427 4.3 57.1 1.0 N C:ASP428 4.3 65.5 1.0 CB C:ASN430 4.3 65.5 1.0 N C:ASN430 4.3 70.1 1.0 N C:ASP434 4.4 57.4 1.0 N C:ALA450 4.4 60.7 1.0 C C:ASP426 4.5 64.9 1.0 H C:ASP429 4.5 45.1 1.0 H C:ASP434 4.5 45.1 1.0 HB2 C:ASP434 4.5 45.1 1.0 N C:PRO433 4.5 70.4 1.0 C C:PRO433 4.5 61.0 1.0 HB3 C:TYR432 4.5 45.1 1.0 HA C:PRO433 4.5 45.1 1.0 HA C:ARG449 4.6 45.1 1.0 HG22 C:ILE427 4.6 45.1 1.0 CB C:ASP428 4.6 67.4 1.0 HB3 C:ASP434 4.7 45.1 1.0 CB C:ALA450 4.7 69.9 1.0 HA C:ASP434 4.7 45.1 1.0 CA C:ASP434 4.7 50.6 1.0 N C:ASP429 4.7 75.0 1.0 CA C:PRO433 4.7 63.9 1.0 H C:GLY431 4.8 45.1 1.0 CA C:ASN430 4.8 59.1 1.0 CA C:ASP428 4.8 68.0 1.0 HD22 C:ASN430 4.8 45.1 1.0 HB3 C:ARG449 4.9 45.1 1.0 HB3 C:ASP428 4.9 45.1 1.0 C C:ASP428 4.9 73.9 1.0 HB3 C:ASP426 4.9 45.1 1.0 O C:PRO433 5.0 62.9 1.0 N C:GLY431 5.0 73.2 1.0

J.Zhu, F.-Y.Lin, J.Zhu, T.A.Springer. Integrin Alpha Iib Beta 3 Headpiece with Fab Complex with Bms Compound 4. To Be Published.