Sodium in PDB 4uwr: Mono-Zinc Vim-26. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding.

The structure of Mono-Zinc Vim-26. LEU224 in Vim-26 From Klebsiella Pneumoniae Has Implications For Drug Binding., PDB code: 4uwr 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)	22.070 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.735, 67.783, 40.408, 90.00, 93.07, 90.00
R / Rfree (%)	15.38 / 18.22

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

Zinc

(Zn)

1 atom

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

Sodium binding site 1 out of 2 in the Mono-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 Sodium with other atoms in the Na binding site number 1 of Mono-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:Na1296 b:33.2 occ:1.00 O B:HOH2099 2.0 41.8 1.0 H B:ASP119 2.2 24.2 1.0 HD22 B:ASN165 2.6 22.9 1.0 HA B:HIS118 2.9 21.9 1.0 HB2 B:ASP119 3.0 29.3 1.0 N B:ASP119 3.0 20.2 1.0 O B:HOH2163 3.2 54.3 1.0 HD2 B:HIS118 3.4 23.4 1.0 ND2 B:ASN165 3.4 19.1 1.0 HB3 B:ASP119 3.5 29.3 1.0 CB B:ASP119 3.6 24.4 1.0 HB3 B:HIS118 3.6 18.1 1.0 CA B:HIS118 3.7 18.3 1.0 C B:HIS118 3.9 16.0 1.0 CD2 B:HIS118 3.9 19.5 1.0 CA B:ASP119 3.9 21.7 1.0 HD21 B:ASN165 3.9 22.9 1.0 CB B:HIS118 4.0 15.1 1.0 OD1 B:ASN165 4.1 24.1 1.0 CG B:HIS118 4.2 16.3 1.0 CG B:ASN165 4.2 25.9 1.0 HG3 B:GLU149 4.2 52.0 1.0 HA B:ASP119 4.4 26.1 1.0 HB3 B:GLU149 4.6 37.2 1.0 H B:ASP120 4.7 22.5 1.0 O B:HOH2071 4.8 47.5 1.0 OE1 B:GLU149 4.8 50.0 1.0 O B:PHE117 4.8 15.4 1.0 N B:HIS118 4.9 15.5 1.0 HB2 B:HIS118 4.9 18.1 1.0 CG B:ASP119 5.0 28.4 0.8 NE2 B:HIS118 5.0 21.3 1.0 HE2 B:PHE117 5.0 22.3 1.0

Sodium binding site 2 out of 2 in the Mono-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 Sodium with other atoms in the Na binding site number 2 of Mono-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:Na1298 b:36.7 occ:1.00 H B:SER60 2.3 24.6 1.0 HA B:GLN59 2.7 24.1 1.0 OE1 B:GLN59 2.8 24.5 1.0 HB3 B:GLN59 3.0 30.9 1.0 N B:SER60 3.1 20.5 1.0 O B:HOH2004 3.2 33.5 1.0 HD22 B:ASN91 3.3 29.8 1.0 CA B:GLN59 3.4 20.1 1.0 O B:SER60 3.5 29.2 1.0 O B:HOH2024 3.6 25.7 1.0 CB B:GLN59 3.6 25.8 1.0 C B:GLN59 3.8 27.9 1.0 CD B:GLN59 3.9 25.1 1.0 HD21 B:ASN91 3.9 29.8 1.0 ND2 B:ASN91 3.9 24.8 1.0 C B:SER60 4.1 21.2 1.0 CA B:SER60 4.1 21.4 1.0 HB3 B:SER60 4.1 31.4 1.0 HB3 B:TRP87 4.1 25.1 0.8 HE3 B:TRP87 4.3 20.5 0.8 CE3 B:TRP87 4.4 17.1 0.8 CG B:GLN59 4.4 22.1 1.0 HB2 B:GLN59 4.4 30.9 1.0 CD2 B:TRP87 4.5 12.1 0.8 O B:HOH2052 4.6 43.7 1.0 O B:TRP87 4.6 23.9 0.8 O B:THR58 4.6 29.0 0.4 CB B:SER60 4.7 26.2 1.0 N B:GLN59 4.7 20.4 1.0 O B:THR58 4.7 29.3 0.6 CG B:TRP87 4.7 17.1 0.8 HB2 B:PHE61 4.9 32.7 1.0 HG3 B:GLN59 4.9 26.5 1.0 CB B:TRP87 4.9 20.9 0.8 CZ3 B:TRP87 4.9 24.4 0.8 HA B:SER60 4.9 25.7 1.0 O B:GLN59 5.0 26.2 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