Chlorine in PDB 1qjv: Pectin Methylesterase Pema From Erwinia Chrysanthemi

All present enzymatic activity of Pectin Methylesterase Pema From Erwinia Chrysanthemi:
3.1.1.11;

The structure of Pectin Methylesterase Pema From Erwinia Chrysanthemi, PDB code: 1qjv was solved by J.Jenkins, O.Mayans, D.Smith, K.Worboys, R.Pickersgill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.694, 85.507, 96.690, 90.00, 93.69, 90.00
R / Rfree (%)	17 / 21.2

The binding sites of Chlorine atom in the Pectin Methylesterase Pema From Erwinia Chrysanthemi (pdb code 1qjv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pectin Methylesterase Pema From Erwinia Chrysanthemi, PDB code: 1qjv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pectin Methylesterase Pema From Erwinia Chrysanthemi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pectin Methylesterase Pema From Erwinia Chrysanthemi within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl400 b:15.6 occ:1.00 OG1 A:THR272 3.4 17.4 1.0 O A:HOH2114 3.5 29.3 1.0 NE1 A:TRP269 3.7 11.7 1.0 O A:HOH2223 3.8 17.5 1.0 N A:THR272 3.8 12.5 1.0 O A:HOH2102 4.0 46.1 1.0 O A:HOH2227 4.0 45.3 1.0 CB A:THR272 4.1 14.0 1.0 CZ2 A:TRP269 4.4 10.3 1.0 CE2 A:TRP269 4.4 7.5 1.0 CA A:PRO271 4.5 14.2 1.0 CA A:THR272 4.6 10.7 1.0 C A:PRO271 4.7 15.6 1.0 CD1 A:TRP269 4.9 9.6 1.0

Chlorine binding site 2 out of 2 in the Pectin Methylesterase Pema From Erwinia Chrysanthemi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pectin Methylesterase Pema From Erwinia Chrysanthemi within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl400 b:16.1 occ:1.00 OG1 B:THR272 3.4 18.1 1.0 O B:HOH2107 3.6 30.6 1.0 NE1 B:TRP269 3.7 11.0 1.0 O B:HOH2209 3.8 17.2 1.0 N B:THR272 3.8 13.9 1.0 O B:HOH2097 4.0 46.9 1.0 O B:HOH2213 4.0 46.2 1.0 CB B:THR272 4.1 14.4 1.0 CZ2 B:TRP269 4.3 10.4 1.0 CE2 B:TRP269 4.4 9.2 1.0 CA B:PRO271 4.5 13.2 1.0 CA B:THR272 4.6 10.9 1.0 C B:PRO271 4.7 16.1 1.0 CD1 B:TRP269 4.9 10.5 1.0

J.Jenkins, O.Mayans, D.Smith, K.Worboys, R.Pickersgill. Three-Dimensional Structure of Erwinia Chrysanthemi Pectin Methylesterase Reveals A Novel Esterase Active Site J.Mol.Biol. V. 305 951 2001.
ISSN: ISSN 0022-2836
PubMed: 11162105
DOI: 10.1006/JMBI.2000.4324