Magnesium in PDB 6ibv: Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1

Enzymatic activity of Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1

All present enzymatic activity of Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1, PDB code: 6ibv was solved by L.Maso, A.Quotadamo, P.Bellio, M.Montanari, G.Celenza, A.Venturelli, M.P.Costi, D.Tondi, L.Cendron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.67 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.407, 73.824, 77.868, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 25.2

Other elements in 6ibv:

The structure of Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Bromine (Br) 2 atoms
Calcium (Ca) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1 (pdb code 6ibv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1, PDB code: 6ibv:

Magnesium binding site 1 out of 1 in 6ibv

Go back to Magnesium Binding Sites List in 6ibv
Magnesium binding site 1 out of 1 in the Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Ndm-1 Beta-Lactamase in Complex with Broad Spectrum Boronic Inhibitor Cpd 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg305

b:13.0
occ:1.00
 O B:HOH622 2.2 45.0 1.0
O B:GLY178 2.3 11.9 1.0
O B:HOH419 2.3 17.3 1.0
O B:HOH542 2.4 19.7 1.0
O B:HOH608 2.5 22.5 1.0
O B:HOH583 2.5 23.2 1.0
C B:GLY178 3.3 9.9 1.0
CA B:GLY178 4.1 10.8 1.0
OD2 B:ASP199 4.2 17.8 1.0
N B:GLY178 4.2 12.2 1.0
O B:HOH663 4.2 34.8 1.0
N B:PRO179 4.3 11.7 1.0
O B:HOH559 4.4 21.8 1.0
O B:HOH609 4.5 20.2 1.0
CA B:PRO179 4.5 10.8 1.0
O B:LEU180 4.7 10.9 1.0
C B:PRO179 4.8 11.6 1.0
O B:HOH661 4.8 22.2 1.0
C B:PHE177 4.9 10.8 1.0

Reference:

L.Cendron, A.Quotadamo, L.Maso, P.Bellio, M.Montanari, G.Celenza, A.Venturelli, M.P.Costi, D.Tondi. X-Ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid Beta-Lactamase Inhibitors. Acs Med.Chem.Lett. V. 10 650 2019.
ISSN: ISSN 1948-5875
PubMed: 30996812
DOI: 10.1021/ACSMEDCHEMLETT.8B00607
Page generated: Mon Dec 14 22:56:39 2020

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