Zinc in PDB 1ddk: Crystal Structure of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa

All present enzymatic activity of Crystal Structure of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa:
3.5.2.6;

The structure of Crystal Structure of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa, PDB code: 1ddk was solved by N.O.Concha, C.A.Janson, P.Rowling, S.Pearson, C.A.Cheever, B.P.Clarke, C.Lewis, M.Galleni, J.M.Frere, D.J.Payne, J.H.Bateson, S.S.Abdel-Meguid, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.300, 105.800, 112.300, 90.00, 93.90, 90.00
R / Rfree (%)	25.5 / 28.8

The binding sites of Zinc atom in the Crystal Structure of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa (pdb code 1ddk). 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 Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa, PDB code: 1ddk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa


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 Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:3.1 occ:1.00 NE2 A:HIS139 2.1 4.4 1.0 NE2 A:HIS77 2.3 2.1 1.0 ND1 A:HIS79 2.3 5.7 1.0 OXT A:ACY510 2.9 16.9 1.0 CD2 A:HIS139 3.0 4.0 1.0 CE1 A:HIS79 3.2 12.9 1.0 CE1 A:HIS77 3.2 6.8 1.0 CE1 A:HIS139 3.2 10.0 1.0 CD2 A:HIS77 3.3 2.8 1.0 ZN A:ZN501 3.3 11.2 1.0 CG A:HIS79 3.4 5.4 1.0 SG A:CYS158 3.7 2.1 1.0 CB A:HIS79 3.7 4.7 1.0 O A:HOH514 3.8 2.1 1.0 CB A:CYS158 3.9 6.4 1.0 C A:ACY510 4.0 18.7 1.0 OD1 A:ASP81 4.2 23.0 1.0 CG A:HIS139 4.2 2.1 1.0 ND1 A:HIS139 4.2 3.0 1.0 OD2 A:ASP81 4.3 18.2 1.0 ND1 A:HIS77 4.3 5.2 1.0 NE2 A:HIS79 4.3 5.2 1.0 CG A:HIS77 4.4 5.5 1.0 CD2 A:HIS79 4.4 6.8 1.0 CG2 A:THR140 4.5 2.3 1.0 ND2 A:ASN167 4.5 10.2 1.0 CG A:ASP81 4.7 19.2 1.0 O A:ACY510 4.8 13.5 1.0 CH3 A:ACY510 4.9 16.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa


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 Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:11.2 occ:1.00 NE2 A:HIS197 2.3 9.5 1.0 SG A:CYS158 2.4 2.1 1.0 OD2 A:ASP81 2.5 18.2 1.0 O A:HOH514 2.6 2.1 1.0 CH3 A:ACY510 2.6 16.1 1.0 OXT A:ACY510 2.8 16.9 1.0 C A:ACY510 2.9 18.7 1.0 CE1 A:HIS197 3.0 10.5 1.0 CG A:ASP81 3.2 19.2 1.0 OD1 A:ASP81 3.2 23.0 1.0 ZN A:ZN500 3.3 3.1 1.0 CD2 A:HIS197 3.5 9.7 1.0 CB A:CYS158 3.7 6.4 1.0 O A:ACY510 4.0 13.5 1.0 ND1 A:HIS197 4.2 11.7 1.0 CG A:HIS197 4.4 9.3 1.0 NE2 A:HIS139 4.5 4.4 1.0 CB A:ASP81 4.5 16.0 1.0 CE1 A:HIS77 4.5 6.8 1.0 NZ A:LYS161 4.5 11.9 1.0 NE2 A:HIS77 4.6 2.1 1.0 CA A:CYS158 4.9 2.5 1.0 CE1 A:HIS139 4.9 10.0 1.0 CB A:SER196 5.0 2.3 1.0

N.O.Concha, C.A.Janson, P.Rowling, S.Pearson, C.A.Cheever, B.P.Clarke, C.Lewis, M.Galleni, J.M.Frere, D.J.Payne, J.H.Bateson, S.S.Abdel-Meguid. Crystal Structure of the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa and Its Complex with A Mercaptocarboxylate Inhibitor: Binding Determinants of A Potent, Broad-Spectrum Inhibitor. Biochemistry V. 39 4288 2000.
ISSN: ISSN 0006-2960
PubMed: 10757977
DOI: 10.1021/BI992569M