Chlorine in PDB 2vg3: RV2361 with Citronellyl Pyrophosphate

All present enzymatic activity of RV2361 with Citronellyl Pyrophosphate:
2.5.1.31;

The structure of RV2361 with Citronellyl Pyrophosphate, PDB code: 2vg3 was solved by J.H.Naismith, W.Wang, C.Dong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.16 / 1.80
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	86.870, 86.870, 184.070, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 23.1

The structure of RV2361 with Citronellyl Pyrophosphate also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the RV2361 with Citronellyl Pyrophosphate (pdb code 2vg3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the RV2361 with Citronellyl Pyrophosphate, PDB code: 2vg3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the RV2361 with Citronellyl Pyrophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of RV2361 with Citronellyl Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1301 b:18.1 occ:1.00 NH2 B:ARG66 2.7 25.8 1.0 N B:ARG291 3.1 20.4 1.0 OG A:SER169 3.3 13.0 1.0 O A:HOH2071 3.5 16.7 1.0 N A:SER169 3.5 15.1 1.0 CZ B:ARG66 3.6 25.5 1.0 CB A:TRP167 3.7 12.4 1.0 CB A:SER169 3.7 14.7 1.0 CA B:THR290 3.7 20.6 1.0 N A:ARG168 3.7 14.7 1.0 CG2 B:THR290 3.8 20.3 1.0 C B:THR290 3.9 20.5 1.0 NH1 B:ARG66 3.9 25.4 1.0 CB B:ARG291 3.9 20.1 1.0 CA B:ARG291 4.0 19.9 1.0 CA A:TRP167 4.1 13.8 1.0 CG A:TRP167 4.1 12.1 1.0 C A:TRP167 4.1 14.0 1.0 CA A:SER169 4.2 14.7 1.0 O B:ARG291 4.3 18.3 1.0 CD2 A:TRP167 4.3 10.6 1.0 CE3 A:TRP167 4.3 10.5 1.0 CB B:THR290 4.4 20.8 1.0 CA A:ARG168 4.4 15.8 1.0 C A:ARG168 4.4 15.2 1.0 O B:ARG289 4.5 20.2 1.0 CB A:ARG168 4.5 15.3 1.0 C B:ARG291 4.5 19.5 1.0 NE B:ARG66 4.7 24.7 1.0 N B:THR290 4.9 20.7 1.0 O A:TRP167 5.0 13.9 1.0 CD1 A:TRP167 5.0 11.0 1.0

Chlorine binding site 2 out of 2 in the RV2361 with Citronellyl Pyrophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of RV2361 with Citronellyl Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1302 b:17.8 occ:1.00 OG B:SER169 3.3 10.4 1.0 N B:SER169 3.4 14.4 1.0 O B:HOH2056 3.4 21.1 1.0 N B:ARG168 3.6 13.7 1.0 CB B:SER169 3.7 14.0 1.0 CB B:TRP167 3.8 13.1 1.0 C B:TRP167 4.1 12.9 1.0 CG B:TRP167 4.1 12.1 1.0 CA B:SER169 4.1 13.7 1.0 CA B:TRP167 4.1 13.2 1.0 CE3 B:TRP167 4.2 12.5 1.0 C B:ARG168 4.3 14.0 1.0 CD2 B:TRP167 4.3 11.1 1.0 CA B:ARG168 4.3 14.6 1.0 CB B:ARG168 4.4 14.7 1.0 NH2 B:ARG168 4.8 21.2 1.0 NE B:ARG168 4.8 21.7 1.0 O B:TRP167 4.9 12.9 1.0

W.Wang, C.Dong, M.Mcneil, D.Kaur, S.Mahapatra, D.C.Crick, J.H.Naismith. The Structural Basis of Chain Length Control in RV1086. J. Mol. Biol. V. 381 129 2008.
ISSN: ESSN 1089-8638
PubMed: 18597781
DOI: 10.1016/J.JMB.2008.05.060