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Chlorine in PDB 5n0i: Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement

Enzymatic activity of Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement

All present enzymatic activity of Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement, PDB code: 5n0i was solved by J.E.Raczynska, I.G.Shabalin, M.Jaskolski, W.Minor, A.Wlodawer, D.T.King, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.74 / 1.47
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 107.220, 107.220, 92.850, 90.00, 90.00, 90.00
R / Rfree (%) 11 / 14.7

Other elements in 5n0i:

The structure of Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement (pdb code 5n0i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement, PDB code: 5n0i:

Chlorine binding site 1 out of 1 in 5n0i

Go back to Chlorine Binding Sites List in 5n0i
Chlorine binding site 1 out of 1 in the Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ndm-1 in Complex with Beta-Mercaptoethanol - New Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:25.4
occ:1.00
 O B:HOH613 3.0 29.9 1.0
N B:LYS242 3.1 13.1 1.0
C B:PHE240 3.2 11.6 1.0
N B:PRO241 3.3 11.5 1.0
CA B:PHE240 3.4 10.9 1.0
CD B:PRO241 3.5 13.9 1.0
N B:ALA243 3.6 11.2 1.0
CB B:LYS242 3.7 17.6 1.0
CA B:LYS242 3.7 14.3 1.0
O B:PHE240 3.7 12.6 1.0
C B:LYS242 4.0 13.7 1.0
CB B:PHE240 4.0 10.0 1.0
O B:HOH433 4.0 28.7 1.0
C B:PRO241 4.1 12.5 1.0
CG B:PRO241 4.3 14.4 1.0
CA B:PRO241 4.3 13.4 1.0
CG B:LYS242 4.5 24.0 1.0
CA B:ALA243 4.6 11.8 1.0
N B:PHE240 4.7 11.2 1.0
O B:HOH548 4.7 31.6 1.0
CB B:ALA243 4.7 13.0 1.0
CD1 B:PHE240 4.8 11.7 1.0
O B:ALA239 4.8 13.4 1.0
O B:HOH611 4.8 40.2 1.0
CG B:PHE240 4.9 10.6 1.0
O B:LYS242 5.0 18.1 1.0

Reference:

J.E.Raczynska, I.G.Shabalin, W.Minor, A.Wlodawer, M.Jaskolski. A Close Look Onto Structural Models and Primary Ligands of Metallo-Beta-Lactamases. Drug Resist. Updat. V. 40 1 2018.
ISSN: ESSN 1532-2084
PubMed: 30466711
DOI: 10.1016/J.DRUP.2018.08.001
Page generated: Fri Jul 26 13:08:19 2024

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