The binding sites of Arsenic atom in the structure of TF7A_3771 Complex (pdb code 1w0y). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom.
The 1w0y structure was solved by D.W.BANNER, A.D'ARCY, K.GROEBKE-ZBINDEN, J.ACKERMANN, D.KIRCHHOFER, Y.-H.JI, T.B.TSCHOPP, S.WALLBAUM, L.WEBER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-2.5 | | Space group | P212121 | | a (A) | 71.338 | | b (A) | 82.378 | | c (A) | 123.963 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | n/a | | Rfree (%) | n/a |
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Arsenic binding site 1 out of 1 in 1w0y
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1w0y. 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: H: Cys168, H: Ser170B, H: Ile176, H: Trp215, H: His224, H: Phe225, H: Val227, H: Cac1260, H: Hoh2161, | conact list:
| Atom | Atom | Distance (A) | | As | SG H:Cys168 | 4.82 | | As | CB H:Ser170B | 4.42 | | As | OG H:Ser170B | 4.09 | | As | CD1 H:Ile176 | 4.75 | | As | CZ3 H:Trp215 | 4.96 | | As | CH2 H:Trp215 | 4.99 | | As | CB H:His224 | 4.43 | | As | ND1 H:His224 | 3.91 | | As | CE1 H:His224 | 4.95 | | As | CG H:His224 | 4.64 | | As | CA H:His224 | 4.63 | | As | O H:Phe225 | 4.21 | | As | N H:Phe225 | 4.28 | | As | CG2 H:Val227 | 4.76 | | As | O1 H:Cac1260 | 1.63 | | As | O2 H:Cac1260 | 1.60 | | As | AS H:Cac1260 | 0.00 | | As | C2 H:Cac1260 | 1.91 | | As | C1 H:Cac1260 | 1.92 | | As | O H:Hoh2161 | 4.07 |
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