Bromine in the structure of Structures of Horse Liver Alcohol Dehydrogenase Complexed With Nad+ and Substituted Benzyl Alcohols (pdb 1hld)

The binding sites of Bromine atom in the structure of Structures of Horse Liver Alcohol Dehydrogenase Complexed With Nad+ and Substituted Benzyl Alcohols (pdb code 1hld). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1hld structure was solved by S.RAMASWAMY, H.EKLUND, B.V.PLAPP, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.1 Space group P1211 a (A) 51.100 b (A) 180.700 c (A) 44.300 alpha (°) 90.00 beta (°) 108.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) n/a Bromine Binding Sites: Bromine binding site 1 out of 2 in 1hld Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1hld. 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: Leu116, A: Val294, A: Ile318, B: Met306, B: Leu309, A: Pfb1001, A: Brb1003, A: Hoh2140, conact list: Atom Atom Distance (A) Br CD2 A:Leu116 3.98 Br CG A:Leu116 4.98 Br CB A:Val294 4.56 Br CG2 A:Val294 3.86 Br CG1 A:Val294 3.96 Br CD1 A:Ile318 4.15 Br CG1 A:Ile318 4.90 Br CE B:Met306 4.66 Br SD B:Met306 4.19 Br CD2 B:Leu309 3.78 Br CG B:Leu309 4.76 Br F4 A:Pfb1001 2.69 Br C6 A:Pfb1001 4.98 Br C5 A:Pfb1001 4.23 Br C4 A:Pfb1001 2.85 Br C1 A:Pfb1001 4.68 Br C3 A:Pfb1001 2.27 Br F2 A:Pfb1001 3.78 Br F3 A:Pfb1001 1.14 Br C2 A:Pfb1001 3.46 Br C6 A:Brb1003 4.05 Br C5 A:Brb1003 2.75 Br BR4 A:Brb1003 0.00 Br C4 A:Brb1003 1.75 Br C1 A:Brb1003 4.61 Br C3 A:Brb1003 2.73 Br C2 A:Brb1003 4.07 Br O A:Hoh2140 2.84 interactive model: Bromine binding site 2 out of 2 in 1hld Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1hld. 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: Met306, A: Leu309, B: Leu57, B: Leu116, B: Val294, B: Ile318, B: Pfb1002, B: Brb1004, B: Hoh2057, conact list: Atom Atom Distance (A) Br CE A:Met306 4.19 Br SD A:Met306 4.40 Br CD2 A:Leu309 4.16 Br CD1 B:Leu57 4.83 Br CD2 B:Leu116 3.93 Br CG B:Leu116 5.00 Br CB B:Val294 4.57 Br CG2 B:Val294 3.68 Br CG1 B:Val294 4.18 Br CD1 B:Ile318 3.95 Br F4 B:Pfb1002 2.11 Br C6 B:Pfb1002 4.78 Br C5 B:Pfb1002 3.91 Br C4 B:Pfb1002 2.49 Br C1 B:Pfb1002 4.55 Br F5 B:Pfb1002 4.72 Br C3 B:Pfb1002 2.15 Br F2 B:Pfb1002 3.95 Br F3 B:Pfb1002 1.23 Br C2 B:Pfb1002 3.44 Br C6 B:Brb1004 4.04 Br C5 B:Brb1004 2.75 Br BR4 B:Brb1004 0.00 Br C4 B:Brb1004 1.71 Br C1 B:Brb1004 4.57 Br C3 B:Brb1004 2.66 Br C2 B:Brb1004 4.00 Br O B:Hoh2057 2.86 interactive model: