Chlorine in PDB 6inc: Crystal Structure of An Acetolactate Decarboxylase From Klebsiella Pneumoniae

All present enzymatic activity of Crystal Structure of An Acetolactate Decarboxylase From Klebsiella Pneumoniae:
4.1.1.5;

The structure of Crystal Structure of An Acetolactate Decarboxylase From Klebsiella Pneumoniae, PDB code: 6inc was solved by W.Wu, Q.Zhang, M.Bartlam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.58 / 1.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	55.152, 55.152, 119.377, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 18

The structure of Crystal Structure of An Acetolactate Decarboxylase From Klebsiella Pneumoniae also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of An Acetolactate Decarboxylase From Klebsiella Pneumoniae (pdb code 6inc). 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 An Acetolactate Decarboxylase From Klebsiella Pneumoniae, PDB code: 6inc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Acetolactate Decarboxylase From Klebsiella Pneumoniae


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 An Acetolactate Decarboxylase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:23.0 occ:1.00 H A:GLU199 2.1 7.8 1.0 O A:HOH534 2.8 25.2 1.0 HA A:HIS198 2.8 8.6 1.0 HH22 A:ARG117 2.9 25.8 1.0 O A:LEU212 2.9 8.6 1.0 N A:GLU199 2.9 6.5 1.0 HD2 A:HIS198 3.0 7.3 1.0 O A:GLU199 3.3 7.0 1.0 NH2 A:ARG117 3.4 21.5 1.0 HH21 A:ARG117 3.5 25.8 1.0 HB2 A:GLU199 3.5 7.2 1.0 CE1 A:HIS211 3.6 9.6 1.0 O A:HOH543 3.6 24.7 1.0 HE1 A:HIS211 3.6 11.5 1.0 NE2 A:HIS211 3.6 9.8 1.0 HE2 A:HIS211 3.6 11.7 1.0 CA A:HIS198 3.6 7.2 1.0 H A:LEU212 3.7 8.3 1.0 C A:HIS198 3.7 5.7 1.0 HB2 A:LEU212 3.7 10.3 1.0 CA A:GLU199 3.9 5.8 1.0 CD2 A:HIS198 3.9 6.1 1.0 C A:LEU212 4.0 7.1 1.0 C A:GLU199 4.0 5.4 1.0 O A:TYR197 4.1 11.6 1.0 CB A:GLU199 4.2 6.0 1.0 ND1 A:HIS211 4.2 8.2 1.0 N A:LEU212 4.2 6.9 1.0 CD2 A:HIS211 4.2 9.2 1.0 CA A:LEU212 4.4 6.2 1.0 N A:HIS198 4.4 6.5 1.0 CB A:LEU212 4.5 8.6 1.0 CZ A:ARG117 4.5 24.1 1.0 HG3 A:GLU199 4.5 9.6 1.0 HD2 A:HIS200 4.5 6.5 1.0 O A:HOH503 4.5 23.1 1.0 HH12 A:ARG117 4.5 34.8 1.0 CG A:HIS211 4.6 6.9 1.0 CG A:HIS198 4.6 7.1 1.0 C A:TYR197 4.6 9.2 1.0 CB A:HIS198 4.6 7.1 1.0 HD2 A:HIS211 4.7 11.0 1.0 HA A:GLU199 4.7 7.0 1.0 O A:HOH618 4.7 40.9 1.0 HB3 A:LEU212 4.8 10.3 1.0 OE2 A:GLU199 4.8 15.7 1.0 CG A:GLU199 4.9 8.0 1.0 NH1 A:ARG117 4.9 29.0 1.0 O A:HIS198 4.9 7.3 1.0 HB3 A:GLU199 5.0 7.2 1.0 HB2 A:HIS198 5.0 8.5 1.0 NE2 A:HIS198 5.0 7.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Acetolactate Decarboxylase From Klebsiella Pneumoniae


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 An Acetolactate Decarboxylase From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:26.1 occ:1.00 HE2 A:HIS219 1.3 23.8 1.0 O A:HOH633 2.1 38.1 1.0 NE2 A:HIS219 2.1 19.8 1.0 O A:HOH603 2.4 39.2 1.0 CE1 A:HIS219 3.1 21.6 1.0 HE1 A:HIS219 3.2 25.9 1.0 CD2 A:HIS219 3.2 15.6 1.0 HD2 A:HIS219 3.4 18.7 1.0 HB2 A:HIS142 3.4 14.9 1.0 CG A:HIS142 3.5 16.8 1.0 HB3 A:HIS142 3.5 14.9 1.0 CB A:HIS142 3.7 12.4 1.0 CD2 A:HIS142 3.8 22.9 1.0 ND1 A:HIS142 3.8 23.9 1.0 O A:HOH466 4.1 24.8 1.0 HD2 A:HIS142 4.1 27.5 1.0 ND1 A:HIS219 4.2 17.4 1.0 NE2 A:HIS142 4.3 26.4 1.0 CE1 A:HIS142 4.3 22.5 1.0 CG A:HIS219 4.3 13.4 1.0 OD2 A:ASP218 4.7 37.2 1.0 HE2 A:HIS142 4.8 31.7 1.0 HB3 A:ASP218 4.8 21.9 1.0 HE1 A:HIS142 4.9 27.0 1.0

W.Wu, Q.Zhao, S.Che, H.Jia, H.Liang, H.Zhang, R.Liu, Q.Zhang, M.Bartlam. Structural Characterization of An Acetolactate Decarboxylase From Klebsiella Pneumoniae Biochem. Biophys. Res. V. 509 154 2019COMMUN..
ISSN: ESSN 1090-2104
PubMed: 30580999
DOI: 10.1016/J.BBRC.2018.12.094