Chlorine in PDB 8v4h: X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol

The structure of X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol, PDB code: 8v4h was solved by J.B.Thoden, M.E.Schumann, H.M.Holden, F.M.Raushel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.06 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.76, 101.593, 133.304, 90, 90, 90
R / Rfree (%)	20.7 / 28.2

The structure of X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol (pdb code 8v4h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol, PDB code: 8v4h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:43.3 occ:1.00 CB A:ASN34 3.3 37.0 1.0 CA A:GLY32 3.5 23.9 1.0 N A:ASN34 3.7 27.5 1.0 O A:HOH588 3.7 27.4 1.0 C A:GLY32 3.8 25.2 1.0 N A:ARG56 4.0 33.3 1.0 CA A:VAL55 4.0 29.3 1.0 CA A:ASN34 4.0 30.1 1.0 CB A:VAL55 4.1 34.0 1.0 N A:ALA33 4.1 26.4 1.0 N A:GLY35 4.2 27.9 1.0 CG A:ARG56 4.3 51.6 1.0 O A:GLY32 4.3 22.6 1.0 C A:ASN34 4.4 29.1 1.0 CG1 A:VAL55 4.5 32.4 1.0 C A:VAL55 4.5 31.7 1.0 N A:GLY32 4.5 23.4 1.0 CG A:ASN34 4.5 40.7 1.0 NE A:ARG56 4.6 61.5 1.0 O A:HOH576 4.6 22.3 1.0 ND2 A:ASN34 4.7 39.2 1.0 O A:LEU54 4.7 31.6 1.0 CB A:ARG56 4.7 43.3 1.0 C A:ALA33 4.9 25.5 1.0 CA A:ARG56 5.0 39.8 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Nadp-Dependent Reductase From Campylobacter Jejuni Responsible For the Synthesis of Cdp-Glucitol in the Presence of Cdp-Glucitol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:34.0 occ:1.00 NZ A:LYS184 3.0 59.1 1.0 N B:ILE108 3.3 25.5 1.0 N B:ASP109 3.3 24.4 1.0 CB B:ILE108 3.4 29.5 1.0 CA B:ASN106 3.6 27.2 1.0 C B:ASN106 3.6 26.3 1.0 CA B:ILE108 3.7 26.2 1.0 CE A:LYS184 3.8 57.9 1.0 CG B:ASP109 3.8 29.5 1.0 N B:PRO107 3.9 27.2 1.0 CD1 B:ILE108 3.9 32.5 1.0 OD2 B:ASP109 3.9 30.5 1.0 CD A:LYS184 3.9 52.2 1.0 CG1 B:ILE108 3.9 34.2 1.0 CB B:ASN106 4.0 28.8 1.0 C B:ILE108 4.0 24.2 1.0 O B:ASN106 4.0 24.5 1.0 OD1 B:ASP109 4.1 26.7 1.0 CD B:PRO107 4.1 28.1 1.0 CB B:ASP109 4.2 28.1 1.0 ND2 B:ASN106 4.3 29.5 1.0 C B:PRO107 4.3 25.3 1.0 CA B:ASP109 4.3 25.1 1.0 CG2 B:ILE108 4.5 29.1 1.0 OH A:TYR185 4.5 40.7 1.0 CG B:ASN106 4.6 32.3 1.0 CA B:PRO107 4.7 26.3 1.0 O B:GLU105 4.7 29.6 1.0 CG B:PRO107 4.7 29.0 1.0 N B:ASN106 4.9 29.5 1.0

M.K.Ghosh, J.B.Thoden, M.E.Schumann, H.M.Holden, F.M.Raushel. Biosynthesis of Cdp-D-Glucitol For the Capsular Polysaccharides of Campylobacter Jejuni To Be Published.