Zinc in PDB 4uws: Vim-26-Peg. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding.

The structure of Vim-26-Peg. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding., PDB code: 4uws 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)	22.072 / 1.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.759, 68.172, 40.406, 90.00, 92.56, 90.00
R / Rfree (%)	15.61 / 20

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

Zinc binding site 1 out of 2 in the Vim-26-Peg. 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 Vim-26-Peg. 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:18.6 occ:1.00 ND1 B:HIS118 1.9 19.3 1.0 O B:HOH2069 2.0 18.6 1.0 NE2 B:HIS196 2.1 13.9 1.0 NE2 B:HIS116 2.1 14.2 1.0 HB2 B:HIS118 2.9 22.1 1.0 CE1 B:HIS118 2.9 15.2 1.0 CG B:HIS118 2.9 18.2 1.0 CE1 B:HIS116 2.9 14.7 1.0 CE1 B:HIS196 3.0 20.1 1.0 CD2 B:HIS196 3.1 14.3 1.0 HE1 B:HIS116 3.1 17.6 1.0 HE1 B:HIS118 3.1 18.3 1.0 CD2 B:HIS116 3.1 16.3 1.0 HE1 B:HIS196 3.2 24.1 1.0 HD2 B:HIS196 3.3 17.1 1.0 CB B:HIS118 3.3 18.4 1.0 HD2 B:HIS116 3.3 19.6 1.0 OD2 B:OCS221 3.5 15.1 0.9 HB3 B:HIS118 3.5 22.1 1.0 H11 B:PEG1299 3.5 50.0 1.0 HO1 B:PEG1299 3.7 60.4 1.0 HD2 B:OCS221 3.8 18.2 0.9 ZN B:ZN1298 3.9 9.2 0.3 NE2 B:HIS118 4.0 22.9 1.0 CD2 B:HIS118 4.0 24.6 1.0 OD1 B:ASP120 4.0 22.8 1.0 ND1 B:HIS116 4.1 14.9 1.0 O1 B:PEG1299 4.1 50.3 1.0 ND1 B:HIS196 4.1 16.8 1.0 HB2 B:OCS221 4.1 20.0 1.0 CG B:HIS196 4.2 12.0 1.0 CG B:HIS116 4.2 12.7 1.0 O B:HOH2121 4.2 33.9 1.0 C1 B:PEG1299 4.3 41.6 1.0 SG B:OCS221 4.4 20.1 1.0 OD2 B:ASP120 4.5 26.1 1.0 H B:HIS118 4.5 23.0 1.0 OD1 B:OCS221 4.6 20.7 0.7 HB3 B:OCS221 4.6 20.0 1.0 CB B:OCS221 4.6 16.7 1.0 CG B:ASP120 4.7 14.9 1.0 HD21 B:ASN233 4.7 56.0 1.0 CA B:HIS118 4.7 26.9 1.0 HE2 B:HIS118 4.8 27.5 1.0 HG2 B:ARG121 4.8 16.1 1.0 HD1 B:HIS116 4.8 17.9 1.0 H21 B:PEG1299 4.8 55.5 1.0 HD2 B:HIS118 4.9 29.6 1.0 HE B:ARG121 4.9 14.6 1.0 O B:HOH2072 4.9 29.8 1.0 HD1 B:HIS196 4.9 20.2 1.0 H12 B:PEG1299 4.9 50.0 1.0 HB3 B:SER197 4.9 17.7 1.0

Zinc binding site 2 out of 2 in the Vim-26-Peg. 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 Vim-26-Peg. 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:9.2 occ:0.26 HD2 B:OCS221 1.1 18.2 0.9 OD2 B:OCS221 1.9 15.1 0.9 OD2 B:ASP120 1.9 26.1 1.0 O B:HOH2072 2.2 29.8 1.0 O B:HOH2069 2.2 18.6 1.0 NE2 B:HIS263 2.2 23.7 1.0 O B:HOH2121 2.3 33.9 1.0 SG B:OCS221 3.0 20.1 1.0 CG B:ASP120 3.0 14.9 1.0 CE1 B:HIS263 3.1 24.9 1.0 HE1 B:HIS263 3.2 29.8 1.0 HO1 B:PEG1299 3.2 60.4 1.0 HH21 B:ARG121 3.2 28.8 1.0 CD2 B:HIS263 3.3 27.6 1.0 OD3 B:OCS221 3.4 19.5 0.8 OD1 B:OCS221 3.4 20.7 0.7 OD1 B:ASP120 3.5 22.8 1.0 HD2 B:HIS263 3.6 33.1 1.0 HE B:ARG121 3.8 14.6 1.0 ZN B:ZN1297 3.9 18.6 1.0 HE1 B:HIS116 4.0 17.6 1.0 NH2 B:ARG121 4.0 24.0 1.0 O1 B:PEG1299 4.1 50.3 1.0 CB B:ASP120 4.2 17.8 1.0 ND1 B:HIS263 4.3 22.1 1.0 HB2 B:ASP120 4.3 21.4 1.0 HB3 B:ASP120 4.3 21.4 1.0 NE B:ARG121 4.4 12.2 1.0 CB B:OCS221 4.4 16.7 1.0 H11 B:PEG1299 4.4 50.0 1.0 CG B:HIS263 4.4 21.2 1.0 HB3 B:OCS221 4.5 20.0 1.0 HE1 B:HIS196 4.5 24.1 1.0 HH22 B:ARG121 4.6 28.8 1.0 O B:HOH2061 4.6 43.6 1.0 NE2 B:HIS196 4.7 13.9 1.0 HB2 B:OCS221 4.7 20.0 1.0 C1 B:PEG1299 4.7 41.6 1.0 H12 B:PEG1299 4.7 50.0 1.0 CZ B:ARG121 4.7 17.0 1.0 CE1 B:HIS116 4.7 14.7 1.0 CE1 B:HIS196 4.8 20.1 1.0 NE2 B:HIS116 4.9 14.2 1.0 O B:HOH2135 5.0 42.8 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