Chlorine in PDB 8i29: Crystal Structure of Butanol Dehydrogenase A (Yqdh) in Complex with Nadh From Fusobacterium Nucleatum

The structure of Crystal Structure of Butanol Dehydrogenase A (Yqdh) in Complex with Nadh From Fusobacterium Nucleatum, PDB code: 8i29 was solved by X.Bai, J.Lan, T.T.Bu, L.L.Wang, S.R.He, J.Zhang, Y.B.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.53 / 2.72
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.426, 79.351, 212.932, 90, 90, 90
R / Rfree (%)	19.7 / 25.8

The structure of Crystal Structure of Butanol Dehydrogenase A (Yqdh) in Complex with Nadh From Fusobacterium Nucleatum also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Butanol Dehydrogenase A (Yqdh) in Complex with Nadh From Fusobacterium Nucleatum (pdb code 8i29). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Butanol Dehydrogenase A (Yqdh) in Complex with Nadh From Fusobacterium Nucleatum, PDB code: 8i29:

Chlorine binding site 1 out of 1 in the Crystal Structure of Butanol Dehydrogenase A (Yqdh) in Complex with Nadh From Fusobacterium Nucleatum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Butanol Dehydrogenase A (Yqdh) in Complex with Nadh From Fusobacterium Nucleatum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:92.9 occ:1.00 O A:HOH566 3.0 73.1 1.0 CE1 A:HIS286 3.4 66.6 1.0 O A:HOH549 3.6 58.1 1.0 ND1 A:HIS286 3.7 61.6 1.0 NE2 A:HIS286 3.9 58.1 1.0 OD2 A:ASP199 3.9 49.3 1.0 CG A:ASP199 4.0 44.3 1.0 CB A:ALA147 4.2 73.5 1.0 CB A:ASP199 4.4 42.1 1.0 CG A:HIS286 4.4 54.4 1.0 OD1 A:ASP199 4.5 48.6 1.0 CD2 A:HIS286 4.5 53.9 1.0 O A:HOH552 4.5 78.5 1.0 CA A:ALA147 4.9 65.7 1.0

X.Bai, J.Lan, T.T.Bu, S.R.He, J.Zhang, L.L.Wang. Crystal Structure of Butanol Dehydrogenase A (Yqdh) in Complex with Nadh From Fusobacterium Nucleatum To Be Published.