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Chlorine in PDB 5moz: Oxa-10 Avibactam Complex with Bound Iodide

Enzymatic activity of Oxa-10 Avibactam Complex with Bound Iodide

All present enzymatic activity of Oxa-10 Avibactam Complex with Bound Iodide:
3.5.2.6;

Protein crystallography data

The structure of Oxa-10 Avibactam Complex with Bound Iodide, PDB code: 5moz was solved by J.Brem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.29 / 1.34
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.841, 101.658, 126.727, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 18.5

Other elements in 5moz:

The structure of Oxa-10 Avibactam Complex with Bound Iodide also contains other interesting chemical elements:

Iodine (I) 9 atoms
Sodium (Na) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Oxa-10 Avibactam Complex with Bound Iodide (pdb code 5moz). 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 Oxa-10 Avibactam Complex with Bound Iodide, PDB code: 5moz:

Chlorine binding site 1 out of 1 in 5moz

Go back to Chlorine Binding Sites List in 5moz
Chlorine binding site 1 out of 1 in the Oxa-10 Avibactam Complex with Bound Iodide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Oxa-10 Avibactam Complex with Bound Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:58.0
occ:1.00
NZ B:LYS134 2.5 41.1 1.0
O B:HOH530 2.9 43.6 1.0
CD B:ARG131 3.7 35.4 1.0
CE B:LYS134 3.8 51.2 1.0
CE2 B:TYR135 3.8 36.0 1.0
CG2 B:THR80 3.9 32.6 1.0
CG B:ARG131 4.1 37.0 1.0
CD B:LYS134 4.4 55.3 1.0
OH B:TYR135 4.5 46.2 1.0
CB B:ARG131 4.6 35.2 1.0
CZ B:TYR135 4.6 36.3 1.0
CB B:THR80 4.7 32.1 1.0
CA B:THR80 4.7 31.2 1.0
CD2 B:TYR135 4.7 35.1 1.0
NE B:ARG131 4.9 37.1 1.0
NH1 B:ARG131 4.9 38.0 1.0

Reference:

C.T.Lohans, D.Y.Wang, C.Jorgensen, S.T.Cahill, I.J.Clifton, M.A.Mcdonough, H.P.Oswin, J.Spencer, C.Domene, T.D.W.Claridge, J.Brem, C.J.Schofield. (13)C-Carbamylation As A Mechanistic Probe For the Inhibition of Class D Beta-Lactamases By Avibactam and Halide Ions. Org. Biomol. Chem. V. 15 6024 2017.
ISSN: ESSN 1477-0539
PubMed: 28678295
DOI: 10.1039/C7OB01514C
Page generated: Fri Jul 26 12:50:29 2024

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