Zinc in PDB 6bnd: Crystal Structure of the Intrinsic Colistin Resistance Enzyme Icr(Mc) From Moraxella Catarrhalis, Catalytic Domain, THR315ALA Mutant Mono- Zinc and Phosphoethanolamine Complex

The structure of Crystal Structure of the Intrinsic Colistin Resistance Enzyme Icr(Mc) From Moraxella Catarrhalis, Catalytic Domain, THR315ALA Mutant Mono- Zinc and Phosphoethanolamine Complex, PDB code: 6bnd was solved by P.J.Stogios, E.Evdokimova, Z.Wawrzak, A.Savchenko, W.F.Anderson, K.J.Satchell, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.80 / 1.66
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.520, 155.240, 66.410, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 19.2

The binding sites of Zinc atom in the Crystal Structure of the Intrinsic Colistin Resistance Enzyme Icr(Mc) From Moraxella Catarrhalis, Catalytic Domain, THR315ALA Mutant Mono- Zinc and Phosphoethanolamine Complex (pdb code 6bnd). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Intrinsic Colistin Resistance Enzyme Icr(Mc) From Moraxella Catarrhalis, Catalytic Domain, THR315ALA Mutant Mono- Zinc and Phosphoethanolamine Complex, PDB code: 6bnd:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Intrinsic Colistin Resistance Enzyme Icr(Mc) From Moraxella Catarrhalis, Catalytic Domain, THR315ALA Mutant Mono- Zinc and Phosphoethanolamine Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Intrinsic Colistin Resistance Enzyme Icr(Mc) From Moraxella Catarrhalis, Catalytic Domain, THR315ALA Mutant Mono- Zinc and Phosphoethanolamine Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:28.4 occ:1.00 OD2 A:ASP498 1.8 14.6 1.0 O3 A:OPE602 2.0 29.4 1.0 NE2 A:HIS499 2.1 16.4 1.0 OE2 A:GLU273 2.1 16.3 1.0 OE1 A:GLU273 2.6 16.4 1.0 CD A:GLU273 2.7 14.9 1.0 CG A:ASP498 2.8 18.0 1.0 CD2 A:HIS499 2.9 17.1 1.0 OD1 A:ASP498 3.0 17.8 1.0 CE1 A:HIS499 3.0 16.8 1.0 P A:OPE602 3.2 29.4 1.0 N A:ALA315 3.7 19.1 1.0 O2 A:OPE602 3.8 29.4 1.0 CB A:ALA315 3.9 18.6 1.0 O1 A:OPE602 4.0 29.4 1.0 OG1 A:THR274 4.0 17.8 1.0 CG A:HIS499 4.1 17.4 1.0 ND1 A:HIS499 4.1 18.2 1.0 O A:HOH706 4.1 36.9 1.0 CG A:GLU273 4.1 17.4 1.0 CA A:ALA315 4.2 17.1 1.0 CB A:ASP498 4.2 15.3 1.0 O A:HOH834 4.3 17.7 1.0 NE2 A:HIS511 4.3 18.8 1.0 O4 A:OPE602 4.3 29.6 1.0 C A:SER314 4.4 19.5 1.0 N A:THR274 4.4 16.9 1.0 CA A:OPE602 4.6 29.7 1.0 CA A:SER314 4.7 18.9 1.0 CA A:GLU273 4.7 16.5 1.0 CE1 A:HIS511 4.8 21.4 1.0 CD2 A:HIS511 4.9 19.4 1.0 CB A:GLU273 4.9 17.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Intrinsic Colistin Resistance Enzyme Icr(Mc) From Moraxella Catarrhalis, Catalytic Domain, THR315ALA Mutant Mono- Zinc and Phosphoethanolamine Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Intrinsic Colistin Resistance Enzyme Icr(Mc) From Moraxella Catarrhalis, Catalytic Domain, THR315ALA Mutant Mono- Zinc and Phosphoethanolamine Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:25.5 occ:1.00 OD2 B:ASP498 1.8 14.3 1.0 O1 B:OPE602 2.0 28.4 1.0 OE1 B:GLU273 2.1 18.9 1.0 NE2 B:HIS499 2.2 17.0 1.0 CD B:GLU273 2.6 15.6 1.0 OE2 B:GLU273 2.6 18.1 1.0 CG B:ASP498 2.8 16.6 1.0 OD1 B:ASP498 2.9 16.8 1.0 CD2 B:HIS499 3.0 19.6 1.0 CE1 B:HIS499 3.1 21.4 1.0 P B:OPE602 3.2 28.5 1.0 O3 B:OPE602 3.7 28.5 1.0 N B:ALA315 3.8 20.0 1.0 CB B:ALA315 3.9 17.7 1.0 O2 B:OPE602 3.9 28.5 1.0 OG1 B:THR274 4.0 16.4 1.0 CG B:HIS499 4.1 18.9 1.0 ND1 B:HIS499 4.1 17.9 1.0 CG B:GLU273 4.1 15.5 1.0 CA B:ALA315 4.2 16.5 1.0 O B:HOH702 4.2 33.3 1.0 CB B:ASP498 4.2 14.6 1.0 O B:HOH830 4.3 17.6 1.0 NE2 B:HIS511 4.3 18.8 1.0 O4 B:OPE602 4.3 28.6 1.0 N B:THR274 4.5 16.5 1.0 C B:SER314 4.5 22.4 1.0 CA B:OPE602 4.6 28.8 1.0 CA B:GLU273 4.7 14.7 1.0 CA B:SER314 4.8 23.5 1.0 CD2 B:HIS511 4.8 20.3 1.0 CE1 B:HIS511 4.9 22.2 1.0 CB B:GLU273 4.9 16.8 1.0

P.J.Stogios, G.Cox, H.L.Zubyk, E.Evdokimova, Z.Wawrzak, G.D.Wright, A.Savchenko. Substrate Recognition By A Colistin Resistance Enzyme From Moraxella Catarrhalis. Acs Chem. Biol. V. 13 1322 2018.
ISSN: ESSN 1554-8937
PubMed: 29631403
DOI: 10.1021/ACSCHEMBIO.8B00116