Bromine in PDB 1hld: Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols

All present enzymatic activity of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols:
1.1.1.1;

The structure of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols, PDB code: 1hld was solved by S.Ramaswamy, H.Eklund, B.V.Plapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.100, 180.700, 44.300, 90.00, 108.00, 90.00
R / Rfree (%)	18.3 / n/a

The structure of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols also contains other interesting chemical elements:

Fluorine	(F)	10 atoms
Zinc	(Zn)	4 atoms

The binding sites of Bromine atom in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols (pdb code 1hld). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols, PDB code: 1hld:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1003 b:48.3 occ:1.00 BR4 A:BRB1003 0.0 48.3 1.0 F3 A:PFB1001 1.1 20.1 1.0 C4 A:BRB1003 1.7 37.7 1.0 C3 A:PFB1001 2.3 18.9 1.0 F4 A:PFB1001 2.7 21.3 1.0 C3 A:BRB1003 2.7 35.3 1.0 C5 A:BRB1003 2.8 33.7 1.0 O A:HOH2140 2.8 45.0 1.0 C4 A:PFB1001 2.9 20.9 1.0 C2 A:PFB1001 3.5 19.4 1.0 F2 A:PFB1001 3.8 19.5 1.0 CD2 B:LEU309 3.8 15.9 1.0 CG2 A:VAL294 3.9 15.2 1.0 CG1 A:VAL294 4.0 7.9 1.0 CD2 A:LEU116 4.0 27.3 1.0 C6 A:BRB1003 4.1 29.6 1.0 C2 A:BRB1003 4.1 29.9 1.0 CD1 A:ILE318 4.1 20.8 1.0 SD B:MET306 4.2 46.3 1.0 C5 A:PFB1001 4.2 21.5 1.0 CB A:VAL294 4.6 16.9 1.0 C1 A:BRB1003 4.6 25.9 1.0 CE B:MET306 4.7 43.4 1.0 C1 A:PFB1001 4.7 17.9 1.0 CG B:LEU309 4.8 18.6 1.0 CG1 A:ILE318 4.9 15.9 1.0 C6 A:PFB1001 5.0 19.1 1.0 CG A:LEU116 5.0 31.3 1.0

Bromine binding site 2 out of 2 in the Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1004 b:48.3 occ:1.00 BR4 B:BRB1004 0.0 48.3 1.0 F3 B:PFB1002 1.2 20.4 1.0 C4 B:BRB1004 1.7 36.4 1.0 F4 B:PFB1002 2.1 23.7 1.0 C3 B:PFB1002 2.1 22.5 1.0 C4 B:PFB1002 2.5 23.0 1.0 C3 B:BRB1004 2.7 34.3 1.0 C5 B:BRB1004 2.7 32.1 1.0 O B:HOH2057 2.9 61.4 1.0 C2 B:PFB1002 3.4 21.4 1.0 CG2 B:VAL294 3.7 16.3 1.0 C5 B:PFB1002 3.9 25.8 1.0 CD2 B:LEU116 3.9 26.9 1.0 CD1 B:ILE318 4.0 14.1 1.0 F2 B:PFB1002 4.0 23.4 1.0 C2 B:BRB1004 4.0 31.9 1.0 C6 B:BRB1004 4.0 25.3 1.0 CD2 A:LEU309 4.2 21.0 1.0 CG1 B:VAL294 4.2 12.3 1.0 CE A:MET306 4.2 41.5 1.0 SD A:MET306 4.4 49.3 1.0 C1 B:PFB1002 4.5 22.5 1.0 C1 B:BRB1004 4.6 27.9 1.0 CB B:VAL294 4.6 17.2 1.0 F5 B:PFB1002 4.7 28.1 1.0 C6 B:PFB1002 4.8 24.9 1.0 CD1 B:LEU57 4.8 31.8 1.0 CG B:LEU116 5.0 25.1 1.0

S.Ramaswamy, H.Eklund, B.V.Plapp. Structures of Horse Liver Alcohol Dehydrogenase Complexed with Nad+ and Substituted Benzyl Alcohols. Biochemistry V. 33 5230 1994.
ISSN: ISSN 0006-2960
PubMed: 8172897
DOI: 10.1021/BI00183A028