The binding sites of Bromine atom in the structure of Human Aldose Reductase in Complex With Nadp+ and the Inhibitor IDD594 At 0.66 Angstrom (pdb code 1us0). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 1us0 structure was solved by E.I.HOWARD, R.SANISHVILI, R.E.CACHAU, A.MITSCHLER, B.CHEVRIER, P.BARTH, V.LAMOUR, M.VAN ZANDT, E.SIBLEY, C.BON, D.MORAS, T.R.SCHNEIDER, A.JOACHIMIAK, A.PODJARNY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 20.0-0.7 | | Space group | P1211 | | a (A) | 49.280 | | b (A) | 66.590 | | c (A) | 47.260 | | alpha (°) | 90.00 | | beta (°) | 92.40 | | gamma (°) | 90.00 | | Rfactor (%) | 9.36 | | Rfree (%) | 10.32 |
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Bromine binding site 1 out of 1 in 1us0
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Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1us0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Cys80, A: Trp111, A: Thr113, A: Phe115, A: Cys303, A: Tyr309, A: Ldt320, | conact list:
| Atom | Atom | Distance (A) | | Br | SG A:Cys80 | 4.80 | | Br | CB A:Trp111 | 3.94 | | Br | CD1 A:Trp111 | 4.76 | | Br | CD2 A:Trp111 | 3.89 | | Br | CE3 A:Trp111 | 3.82 | | Br | CG A:Trp111 | 3.94 | | Br | CZ3 A:Trp111 | 4.62 | | Br | CE2 A:Trp111 | 4.75 | | Br | CB A:Thr113 | 4.07 | | Br | CG2 A:Thr113 | 4.04 | | Br | OG1 A:Thr113 | 2.97 | | Br | CZ A:Phe115 | 3.94 | | Br | CE1 A:Phe115 | 4.28 | | Br | CB A:Cys303 | 3.93 | | Br | SG A:Cys303 | 4.06 | | Br | CD1 A:Tyr309 | 4.41 | | Br | CE1 A:Tyr309 | 4.60 | | Br | C29 A:Ldt320 | 2.81 | | Br | BR8 A:Ldt320 | 0.00 | | Br | C24 A:Ldt320 | 4.66 | | Br | C28 A:Ldt320 | 2.83 | | Br | C25 A:Ldt320 | 1.88 | | Br | C27 A:Ldt320 | 4.09 | | Br | C26 A:Ldt320 | 4.11 |
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