Chlorine in PDB 3qvj: Allantoin Racemase From Klebsiella Pneumoniae

The structure of Allantoin Racemase From Klebsiella Pneumoniae, PDB code: 3qvj was solved by J.B.French, D.B.Neau, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.10
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	124.819, 124.819, 126.840, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 23.9

The binding sites of Chlorine atom in the Allantoin Racemase From Klebsiella Pneumoniae (pdb code 3qvj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Allantoin Racemase From Klebsiella Pneumoniae, PDB code: 3qvj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Allantoin Racemase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Allantoin Racemase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:38.2 occ:1.00 N A:PHE80 3.1 27.3 1.0 N A:GLY185 3.2 32.6 1.0 O A:HOH2 3.5 31.6 1.0 CA A:CYS79 3.6 27.1 1.0 CA A:CYS184 3.7 31.8 1.0 SG A:CYS184 3.8 32.4 1.0 C A:CYS79 3.9 27.0 1.0 CB A:PHE80 3.9 27.9 1.0 SG A:CYS79 3.9 29.0 1.0 C A:CYS184 3.9 32.1 1.0 CA A:PHE80 4.1 27.8 1.0 CB A:CYS79 4.1 26.8 1.0 CA A:GLY185 4.1 33.4 1.0 O A:HOH270 4.2 38.6 1.0 O A:HOH271 4.2 35.8 1.0 CB A:CYS184 4.3 31.6 1.0 O A:ALA78 4.5 26.1 1.0 O A:GLY183 4.6 30.5 1.0 CD1 A:ILE99 4.8 25.0 1.0 N A:CYS184 4.8 31.1 1.0 N A:CYS79 4.8 26.4 1.0

Chlorine binding site 2 out of 2 in the Allantoin Racemase From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Allantoin Racemase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:42.4 occ:1.00 N B:PHE80 3.1 28.8 1.0 N B:GLY185 3.2 36.9 1.0 CA B:CYS79 3.6 29.5 1.0 CA B:CYS184 3.6 35.8 1.0 SG B:CYS184 3.7 36.1 1.0 O B:HOH256 3.8 33.5 1.0 CB B:PHE80 3.8 28.5 1.0 C B:CYS79 3.9 29.2 1.0 C B:CYS184 3.9 36.2 1.0 SG B:CYS79 4.0 31.6 1.0 CA B:PHE80 4.1 28.7 1.0 CB B:CYS184 4.2 35.8 1.0 CA B:GLY185 4.2 37.5 1.0 O B:HOH271 4.2 42.8 1.0 CB B:CYS79 4.2 29.3 1.0 O B:ALA78 4.5 29.1 1.0 O B:GLY183 4.7 34.3 1.0 CD1 B:ILE99 4.7 24.7 1.0 N B:CYS184 4.7 35.0 1.0 N B:CYS79 4.8 29.1 1.0

J.B.French, D.B.Neau, S.E.Ealick. Characterization of the Structure and Function of Klebsiella Pneumoniae Allantoin Racemase. J.Mol.Biol. V. 410 447 2011.
ISSN: ISSN 0022-2836
PubMed: 21616082
DOI: 10.1016/J.JMB.2011.05.016