Chlorine in PDB 2hrw: Crystal Structure of Phosphonopyruvate Hydrolase

The structure of Crystal Structure of Phosphonopyruvate Hydrolase, PDB code: 2hrw 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)	32.62 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.880, 79.020, 93.440, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 27.1

The structure of Crystal Structure of Phosphonopyruvate Hydrolase also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Phosphonopyruvate Hydrolase (pdb code 2hrw). 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, PDB code: 2hrw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Phosphonopyruvate Hydrolase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl376 b:22.9 occ:0.50 NA A:NA309 2.7 36.3 1.0 O A:HOH371 2.8 37.1 1.0 CE A:MET66 3.4 25.4 1.0 CL A:CL472 3.8 28.4 0.5 OH A:TYR50 4.1 31.2 1.0 CE2 A:TYR50 4.4 29.4 1.0 CZ A:TYR50 4.5 29.3 1.0 O A:HIS23 4.7 26.6 1.0 CB A:ASN24 5.0 29.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Phosphonopyruvate Hydrolase


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl472 b:28.4 occ:0.50 NA A:NA309 2.8 36.3 1.0 ND2 A:ASN24 2.9 30.1 1.0 CD2 A:HIS23 3.6 25.8 1.0 CB A:ASN24 3.7 29.4 1.0 CG A:ASN24 3.8 31.4 1.0 CL A:CL376 3.8 22.9 0.5 O A:HIS23 4.3 26.6 1.0 NE2 A:HIS23 4.3 30.5 1.0 O A:HOH346 4.5 28.5 1.0 CB A:SER49 4.6 26.2 1.0 OG A:SER49 4.6 29.3 1.0 CG A:HIS23 4.7 26.5 1.0 C A:HIS23 4.8 26.2 1.0 CA A:ASN24 4.9 28.0 1.0 OD1 A:ASN24 4.9 31.9 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