Zinc in PDB 4uwp: Penta ZN1 Coordination. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding.

The structure of Penta ZN1 Coordination. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding., PDB code: 4uwp was solved by H.-K.S.Leiros, K.S.W.Edvardsen, G.E.K.Bjerga, O.Samuelsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.051 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.694, 68.134, 40.343, 90.00, 92.60, 90.00
R / Rfree (%)	15.35 / 19.4

The binding sites of Zinc atom in the Penta ZN1 Coordination. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding. (pdb code 4uwp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Penta ZN1 Coordination. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding., PDB code: 4uwp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Penta ZN1 Coordination. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Penta ZN1 Coordination. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1297 b:16.9 occ:1.00 ND1 B:HIS118 1.8 10.8 1.0 O B:HOH2076 1.9 15.1 1.0 NE2 B:HIS116 2.0 13.1 1.0 NE2 B:HIS196 2.1 11.3 1.0 CE1 B:HIS118 2.8 15.4 1.0 CG B:HIS118 2.9 13.4 1.0 HB2 B:HIS118 2.9 21.5 1.0 CE1 B:HIS116 2.9 10.8 1.0 O B:HOH2077 3.0 37.7 1.0 HE1 B:HIS118 3.0 18.5 1.0 CE1 B:HIS196 3.0 21.5 1.0 HE1 B:HIS116 3.1 13.0 1.0 CD2 B:HIS196 3.1 12.4 1.0 CD2 B:HIS116 3.1 11.9 1.0 HE1 B:HIS196 3.2 25.8 1.0 HD2 B:HIS196 3.3 14.9 1.0 CB B:HIS118 3.3 17.9 1.0 HD2 B:HIS116 3.3 14.3 1.0 OD2 B:OCS221 3.3 15.6 0.8 HB3 B:HIS118 3.5 21.5 1.0 ZN B:ZN1298 3.6 14.2 0.5 HD2 B:OCS221 3.7 18.7 0.8 NE2 B:HIS118 3.9 18.9 1.0 OD1 B:ASP120 3.9 21.2 1.0 CD2 B:HIS118 4.0 21.0 1.0 ND1 B:HIS116 4.1 11.8 1.0 HB2 B:OCS221 4.1 16.5 1.0 O B:HOH2137 4.1 29.1 1.0 ND1 B:HIS196 4.2 16.2 1.0 CG B:HIS116 4.2 7.7 1.0 CG B:HIS196 4.2 13.3 1.0 SG B:OCS221 4.4 17.9 1.0 OD2 B:ASP120 4.5 20.4 1.0 H B:HIS118 4.5 18.2 1.0 HB3 B:OCS221 4.6 16.5 1.0 CB B:OCS221 4.6 13.8 1.0 CG B:ASP120 4.6 18.1 1.0 HD21 B:ASN233 4.7 52.2 1.0 HE2 B:HIS118 4.7 22.7 1.0 HG2 B:ARG121 4.7 18.2 1.0 CA B:HIS118 4.8 21.3 1.0 HE B:ARG121 4.8 14.5 1.0 O B:HOH2083 4.8 25.5 1.0 HD2 B:HIS118 4.8 25.2 1.0 HD1 B:HIS116 4.8 14.2 1.0 OD1 B:OCS221 4.8 10.1 0.7 HD1 B:HIS196 4.9 19.5 1.0 HG3 B:ARG121 4.9 18.2 1.0

Zinc binding site 2 out of 2 in the Penta ZN1 Coordination. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Penta ZN1 Coordination. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1298 b:14.2 occ:0.47 HD2 B:OCS221 1.2 18.7 0.8 HE2 B:HIS263 1.5 21.9 1.0 OD2 B:OCS221 1.9 15.6 0.8 O B:HOH2076 2.0 15.1 1.0 OD2 B:ASP120 2.1 20.4 1.0 O B:HOH2137 2.2 29.1 1.0 NE2 B:HIS263 2.4 18.3 1.0 O B:HOH2083 2.4 25.5 1.0 CG B:ASP120 3.1 18.1 1.0 SG B:OCS221 3.1 17.9 1.0 HH21 B:ARG121 3.2 25.8 1.0 CE1 B:HIS263 3.3 20.3 1.0 CD2 B:HIS263 3.4 22.1 1.0 OD1 B:ASP120 3.4 21.2 1.0 HE1 B:HIS263 3.4 24.4 1.0 HD2 B:HIS263 3.5 26.6 1.0 O B:HOH2077 3.5 37.7 1.0 OD3 B:OCS221 3.5 15.3 0.6 ZN B:ZN1297 3.6 16.9 1.0 OD1 B:OCS221 3.7 10.1 0.7 HE B:ARG121 3.7 14.5 1.0 HE1 B:HIS116 4.0 13.0 1.0 NH2 B:ARG121 4.1 21.5 1.0 HE1 B:HIS196 4.3 25.8 1.0 CB B:ASP120 4.3 16.1 1.0 NE2 B:HIS196 4.4 11.3 1.0 ND1 B:HIS263 4.4 17.7 1.0 CB B:OCS221 4.4 13.8 1.0 HB3 B:ASP120 4.4 19.3 1.0 HB2 B:ASP120 4.5 19.3 1.0 HB3 B:OCS221 4.5 16.5 1.0 CG B:HIS263 4.5 20.3 1.0 NE B:ARG121 4.5 12.1 1.0 CE1 B:HIS196 4.6 21.5 1.0 CE1 B:HIS116 4.6 10.8 1.0 HH22 B:ARG121 4.6 25.8 1.0 HB2 B:OCS221 4.7 16.5 1.0 NE2 B:HIS116 4.7 13.1 1.0 O B:HOH2151 4.7 43.9 1.0 CZ B:ARG121 4.8 16.2 1.0 HB2 B:HIS118 4.9 21.5 1.0 O B:HOH2149 5.0 39.8 1.0

H.S.Leiros, K.S.W.Edvardsen, G.E.K.Bjerga, O.Samuelsen. Structural and Biochemical Characterization of Vim-26 Show That LEU224 Has Implications For the Substrate Specificity of Vim Metallo-Beta-Lactamases. Febs J. 2015.
ISSN: ESSN 1742-4658
PubMed: 25601024
DOI: 10.1111/FEBS.13200