Chlorine in PDB 3q2i: Crystal Structure of the Wlba Dehydrognase From Chromobactrium Violaceum in Complex with Nadh and Udp-Glcnaca at 1.50 A Resolution

The structure of Crystal Structure of the Wlba Dehydrognase From Chromobactrium Violaceum in Complex with Nadh and Udp-Glcnaca at 1.50 A Resolution, PDB code: 3q2i was solved by H.M.Holden, J.B.Thoden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.50
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.711, 106.711, 143.356, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.6

The structure of Crystal Structure of the Wlba Dehydrognase From Chromobactrium Violaceum in Complex with Nadh and Udp-Glcnaca at 1.50 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Wlba Dehydrognase From Chromobactrium Violaceum in Complex with Nadh and Udp-Glcnaca at 1.50 A Resolution (pdb code 3q2i). 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 the Wlba Dehydrognase From Chromobactrium Violaceum in Complex with Nadh and Udp-Glcnaca at 1.50 A Resolution, PDB code: 3q2i:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Wlba Dehydrognase From Chromobactrium Violaceum in Complex with Nadh and Udp-Glcnaca at 1.50 A Resolution


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 the Wlba Dehydrognase From Chromobactrium Violaceum in Complex with Nadh and Udp-Glcnaca at 1.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl352 b:45.2 occ:1.00 O A:HOH564 2.5 37.7 1.0 NH1 A:ARG263 3.3 37.9 1.0 NE2 A:GLN273 3.4 28.8 1.0 N A:GLY266 3.4 21.2 1.0 OE1 A:GLN273 4.0 32.8 1.0 O A:GLY266 4.0 23.4 1.0 CG A:GLU250 4.1 21.1 1.0 CD A:GLN273 4.1 30.8 1.0 CA A:GLY266 4.2 24.3 1.0 CA A:GLY265 4.3 22.9 1.0 CD A:GLU250 4.3 22.7 1.0 CZ A:ARG263 4.3 36.2 1.0 C A:GLY265 4.3 24.2 1.0 NH2 A:ARG263 4.4 35.5 1.0 C A:GLY266 4.5 23.8 1.0 OE1 A:GLU250 4.6 21.6 1.0 O A:HOH565 4.6 55.8 1.0 OE2 A:GLU250 4.7 22.4 1.0 CB A:GLU250 4.7 18.9 1.0 O A:LEU249 5.0 22.1 1.0

J.B.Thoden, H.M.Holden. Biochemical and Structural Characterization of Wlba From Bordetella Pertussis and Chromobacterium Violaceum: Enzymes Required For the Biosynthesis of 2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid. Biochemistry V. 50 1483 2011.
ISSN: ISSN 0006-2960
PubMed: 21241053
DOI: 10.1021/BI101871F