The binding sites of Arsenic atom in the structure of Re-Refinement of Integrin ALPHAIIBBETA3 Headpiece (pdb code 2vdk). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom.
The 2vdk structure was solved by T.A.SPRINGER, J.ZHU, T.XIAO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 42.6-2.8 | | Space group | P3221 | | a (A) | 148.869 | | b (A) | 148.869 | | c (A) | 176.137 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 120.00 | | Rfactor (%) | 16.1 | | Rfree (%) | 20.5 |
|
Arsenic binding site 1 out of 1 in 2vdk
| 
Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 2vdk. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Ser121, B: Tyr122, B: Ser123, B: Asn215, B: Asp217, B: Glu220, B: Cac1462, B: Mg2001, B: Hoh4058, B: Hoh4059, B: Hoh4060, | conact list:
| Atom | Atom | Distance (A) | | As | CB B:Ser121 | 4.06 | | As | OG B:Ser121 | 4.28 | | As | C B:Ser121 | 4.52 | | As | CA B:Ser121 | 4.80 | | As | N B:Tyr122 | 3.66 | | As | CB B:Tyr122 | 4.06 | | As | C B:Tyr122 | 4.42 | | As | CA B:Tyr122 | 4.21 | | As | N B:Ser123 | 3.73 | | As | CB B:Ser123 | 4.38 | | As | OG B:Ser123 | 4.34 | | As | CA B:Ser123 | 4.63 | | As | O B:Asn215 | 3.58 | | As | N B:Asn215 | 4.21 | | As | ND2 B:Asn215 | 3.36 | | As | C B:Asn215 | 4.36 | | As | CG B:Asn215 | 4.47 | | As | CA B:Asn215 | 4.80 | | As | O B:Asp217 | 4.96 | | As | OE1 B:Glu220 | 3.58 | | As | CD B:Glu220 | 4.68 | | As | O1 B:Cac1462 | 1.74 | | As | O2 B:Cac1462 | 1.74 | | As | AS B:Cac1462 | 0.00 | | As | C2 B:Cac1462 | 1.96 | | As | C1 B:Cac1462 | 1.96 | | As | MG B:Mg2001 | 3.51 | | As | O B:Hoh4058 | 4.53 | | As | O B:Hoh4059 | 4.63 | | As | O B:Hoh4060 | 4.12 |
| interactive model:
|
|