The binding sites of Bromine atom in the structure of Crystal Structure of Leishmania Mexicana Gpdh Complexed With Inhibitor 2-Bromo-6-Hydroxy-Purine (pdb code 1m67). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 1m67 structure was solved by J.CHOE, S.SURESH, G.WISEDCHAISRI, K.J.KENNEDY, M.H.GELB, W.G.J.HOL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 50.0-2.5 | | Space group | P41212 | | a (A) | 70.503 | | b (A) | 70.503 | | c (A) | 211.738 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 24.4 | | Rfree (%) | 28.6 |
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Bromine binding site 1 out of 1 in 1m67
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1m67. 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: Trp44, A: Ile93, A: Phe97, A: Phe101, A: Boa402, A: Hoh600, A: Hoh780, | conact list:
| Atom | Atom | Distance (A) | | Br | CZ3 A:Trp44 | 3.93 | | Br | CH2 A:Trp44 | 3.99 | | Br | CD1 A:Ile93 | 4.24 | | Br | CG2 A:Ile93 | 3.89 | | Br | CG1 A:Ile93 | 4.83 | | Br | O A:Phe97 | 4.57 | | Br | CB A:Phe97 | 3.89 | | Br | CD1 A:Phe97 | 4.91 | | Br | CG A:Phe97 | 4.53 | | Br | CB A:Phe101 | 4.27 | | Br | CD1 A:Phe101 | 4.42 | | Br | CG A:Phe101 | 4.81 | | Br | CA A:Phe101 | 4.97 | | Br | N1 A:Boa402 | 2.75 | | Br | C6 A:Boa402 | 4.03 | | Br | C5 A:Boa402 | 4.60 | | Br | N3 A:Boa402 | 2.78 | | Br | C4 A:Boa402 | 4.04 | | Br | BR A:Boa402 | 0.00 | | Br | O6 A:Boa402 | 5.00 | | Br | C2 A:Boa402 | 1.88 | | Br | O A:Hoh600 | 4.77 | | Br | O A:Hoh780 | 4.74 |
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