Chlorine in PDB 4b6z: Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia

The structure of Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia, PDB code: 4b6z was solved by V.Rimsa, T.C.Eadsforth, R.P.Joosten, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.897, 85.947, 289.016, 90.00, 90.00, 90.00
R / Rfree (%)	16.439 / 20.455

The structure of Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia (pdb code 4b6z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia, PDB code: 4b6z:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia


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 Metallo-Carboxypeptidase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1389 b:44.4 occ:1.00 NH2 B:ARG34 3.7 15.9 1.0 ND2 B:ASN33 3.7 11.7 1.0 CE1 B:HIS222 3.8 10.4 1.0 CB B:ASN33 4.3 11.1 1.0 NH1 C:ARG28 4.4 15.1 1.0 CG B:ASN33 4.5 11.1 1.0 ND1 B:HIS222 4.6 10.1 1.0 CZ B:ARG34 4.7 16.7 1.0 NE B:ARG34 4.8 16.1 1.0 NE2 B:HIS222 4.8 10.3 1.0 O B:HOH2015 4.9 23.2 1.0 O B:ASN33 4.9 11.9 1.0 O B:HOH2037 4.9 17.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia


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 Metallo-Carboxypeptidase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1389 b:54.5 occ:1.00 NH2 C:ARG139 3.6 21.6 1.0 NE C:ARG139 3.6 20.5 1.0 O C:HOH2161 3.7 22.2 1.0 O C:HOH2064 3.9 38.5 1.0 CZ C:ARG139 4.1 21.0 1.0 O C:HOH2164 4.3 35.0 1.0 CB C:ARG139 4.6 17.0 1.0 O C:HOH2163 4.7 36.2 1.0 CD C:ARG139 4.8 17.8 1.0 CG C:ARG139 4.8 18.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Metallo-Carboxypeptidase From Burkholderia Cenocepacia within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1999 b:55.8 occ:1.00 O D:GLN335 3.9 16.3 1.0 CE2 D:PHE336 4.0 18.2 1.0 CD2 D:PHE336 4.2 17.6 1.0 ND1 D:HIS257 4.2 17.5 1.0 CZ D:PHE336 4.4 17.9 1.0 CE1 D:HIS257 4.4 16.0 1.0 C D:GLN335 4.7 16.5 1.0 CG D:PHE336 4.8 17.6 1.0 OE1 D:GLN335 4.8 30.0 1.0 CE1 D:PHE336 4.9 18.2 1.0

V.Rimsa, T.C.Eadsforth, R.P.Joosten, W.N.Hunter. High-Resolution Structure of the M14-Type Cytosolic Carboxypeptidase From Burkholderia Cenocepacia Refined Exploiting PDB_REDO Strategies. Acta Crystallogr.,Sect.D V. 70 279 2014.
ISSN: ISSN 0907-4449
PubMed: 24531462
DOI: 10.1107/S1399004713026801