Zinc in PDB 4uwo: Native Di-Zinc Vim-26. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding.

The structure of Native Di-Zinc Vim-26. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding., PDB code: 4uwo 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)	21.967 / 1.56
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.634, 67.882, 40.231, 90.00, 92.39, 90.00
R / Rfree (%)	15.26 / 18.63

The structure of Native Di-Zinc Vim-26. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding. also contains other interesting chemical elements:

Sodium

(Na)

1 atom

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

Zinc binding site 1 out of 2 in the Native Di-Zinc Vim-26. 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 Native Di-Zinc Vim-26. 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:14.1 occ:1.00 ND1 B:HIS118 1.9 11.2 1.0 O B:HOH2066 1.9 13.4 1.0 NE2 B:HIS196 2.0 11.7 1.0 NE2 B:HIS116 2.1 12.1 1.0 HB2 B:HIS118 2.9 13.6 1.0 CE1 B:HIS118 2.9 14.3 1.0 CG B:HIS118 2.9 12.6 1.0 CE1 B:HIS116 3.0 12.1 1.0 CD2 B:HIS196 3.0 10.3 1.0 CE1 B:HIS196 3.0 15.9 1.0 CD2 B:HIS116 3.1 11.8 1.0 HE1 B:HIS118 3.1 17.2 1.0 HD2 B:HIS196 3.2 12.3 1.0 HE1 B:HIS116 3.2 14.5 1.0 HE1 B:HIS196 3.2 19.1 1.0 HD2 B:HIS116 3.3 14.1 1.0 CB B:HIS118 3.3 11.3 1.0 OD2 B:OCS221 3.4 9.9 0.8 HB3 B:HIS118 3.5 13.6 1.0 ZN B:ZN1298 3.6 15.8 0.5 O B:HOH2139 3.7 37.0 1.0 HD2 B:OCS221 3.8 11.9 0.8 OD1 B:ASP120 3.9 17.0 1.0 NE2 B:HIS118 4.0 18.2 1.0 CD2 B:HIS118 4.0 18.6 1.0 O B:HOH2127 4.0 23.7 1.0 HB2 B:OCS221 4.1 15.1 1.0 ND1 B:HIS116 4.1 11.8 1.0 ND1 B:HIS196 4.1 13.8 1.0 CG B:HIS196 4.1 12.0 1.0 CG B:HIS116 4.2 10.3 1.0 OD2 B:ASP120 4.4 15.6 1.0 SG B:OCS221 4.5 15.4 1.0 H B:HIS118 4.5 17.4 1.0 HB3 B:OCS221 4.5 15.1 1.0 CB B:OCS221 4.5 12.6 1.0 CG B:ASP120 4.6 13.8 1.0 HD21 B:ASN233 4.6 51.3 1.0 CA B:HIS118 4.7 16.9 1.0 HE2 B:HIS118 4.8 21.8 1.0 HG2 B:ARG121 4.8 14.8 1.0 HE B:ARG121 4.8 16.5 1.0 O B:HOH2073 4.8 21.1 1.0 OD1 B:OCS221 4.8 12.0 0.7 HD1 B:HIS116 4.9 14.1 1.0 HD2 B:HIS118 4.9 22.3 1.0 HD1 B:HIS196 4.9 16.6 1.0 HG3 B:ARG121 5.0 14.8 1.0 HB3 B:SER197 5.0 17.4 1.0 HE2 B:HIS263 5.0 20.8 1.0

Zinc binding site 2 out of 2 in the Native Di-Zinc Vim-26. 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 Native Di-Zinc Vim-26. 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:15.8 occ:0.47 HD2 B:OCS221 1.3 11.9 0.8 HE2 B:HIS263 1.4 20.8 1.0 OD2 B:OCS221 2.0 9.9 0.8 O B:HOH2066 2.1 13.4 1.0 OD2 B:ASP120 2.1 15.6 1.0 O B:HOH2127 2.1 23.7 1.0 NE2 B:HIS263 2.2 17.3 1.0 O B:HOH2073 2.3 21.1 1.0 CG B:ASP120 3.1 13.8 1.0 CE1 B:HIS263 3.2 17.8 1.0 SG B:OCS221 3.2 15.4 1.0 CD2 B:HIS263 3.2 16.9 1.0 HE1 B:HIS263 3.3 21.4 1.0 HH21 B:ARG121 3.3 24.1 1.0 HD2 B:HIS263 3.4 20.2 1.0 OD1 B:ASP120 3.5 17.0 1.0 ZN B:ZN1297 3.6 14.1 1.0 OD3 B:OCS221 3.7 12.0 0.6 HE B:ARG121 3.9 16.5 1.0 OD1 B:OCS221 3.9 12.0 0.7 O B:HOH2139 3.9 37.0 1.0 HE1 B:HIS116 4.1 14.5 1.0 NH2 B:ARG121 4.2 20.1 1.0 HE1 B:HIS196 4.2 19.1 1.0 ND1 B:HIS263 4.3 15.4 1.0 CB B:ASP120 4.3 15.1 1.0 O B:HOH2064 4.3 35.5 1.0 CG B:HIS263 4.4 13.9 1.0 NE2 B:HIS196 4.4 11.7 1.0 HB3 B:ASP120 4.4 18.2 1.0 HB3 B:OCS221 4.5 15.1 1.0 HB2 B:ASP120 4.5 18.2 1.0 CB B:OCS221 4.5 12.6 1.0 CE1 B:HIS196 4.5 15.9 1.0 NE B:ARG121 4.6 13.8 1.0 HB2 B:OCS221 4.7 15.1 1.0 HH22 B:ARG121 4.7 24.1 1.0 NE2 B:HIS116 4.7 12.1 1.0 CE1 B:HIS116 4.7 12.1 1.0 CZ B:ARG121 4.9 15.3 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