Chlorine in PDB 2hjp: Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++

The structure of Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++, PDB code: 2hjp was solved by C.C.H.Chen, O.Herzberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 1.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.890, 79.180, 93.430, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 22.5

The structure of Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++ also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++ (pdb code 2hjp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++, PDB code: 2hjp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++


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 Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl871 b:14.5 occ:0.50 NA A:NA617 2.8 24.6 1.0 ND2 A:ASN24 3.0 13.6 1.0 CL A:CL875 3.7 21.1 0.5 CB A:ASN24 3.8 13.5 1.0 CG A:ASN24 3.8 13.1 1.0 CD2 A:HIS23 3.9 14.5 1.0 O A:HIS23 4.1 18.1 1.0 CB A:SER49 4.6 14.7 1.0 C A:HIS23 4.7 16.6 1.0 OG A:SER49 4.7 14.7 1.0 O A:HOH619 4.8 16.4 1.0 NE2 A:HIS23 4.8 16.6 1.0 CG A:HIS23 4.9 14.8 1.0 CA A:ASN24 4.9 16.2 1.0 OD1 A:ASN24 5.0 14.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Phosphonopyruvate Hydrolase Complex with Phosphonopyruvate and Mg++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl875 b:21.1 occ:0.50 NA A:NA617 2.9 24.6 1.0 O A:HOH637 3.0 20.7 1.0 CE A:MET66 3.5 12.1 1.0 CL A:CL871 3.7 14.5 0.5 OH A:TYR50 4.1 13.0 1.0 CE2 A:TYR50 4.4 15.9 1.0 CZ A:TYR50 4.6 16.8 1.0 O A:HIS23 4.6 18.1 1.0 CB A:ASN24 5.0 13.5 1.0

C.C.H.Chen, Y.Han, W.Niu, A.N.Kulakova, A.Howard, J.P.Quinn, D.Dunaway-Mariano, O.Herzberg. Structure and Kinetics of Phosphonopyruvate Hydrolase From Voriovorax Sp. PAL2: New Insight Into the Divergence of Catalysis Within the Pep Mutase/Isocitrate Lyase Superfamily Biochemistry V. 45 11491 2006.
ISSN: ISSN 0006-2960
PubMed: 16981709
DOI: 10.1021/BI061208L