Chlorine in PDB 6mpq: 1.95 Ang Crystal Structure of Oxa-24/40 Beta-Lactamase in Complex the Inhibitor ETX2514

The structure of 1.95 Ang Crystal Structure of Oxa-24/40 Beta-Lactamase in Complex the Inhibitor ETX2514, PDB code: 6mpq was solved by F.Van Den Akker, V.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.50 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.562, 102.562, 87.005, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21

The binding sites of Chlorine atom in the 1.95 Ang Crystal Structure of Oxa-24/40 Beta-Lactamase in Complex the Inhibitor ETX2514 (pdb code 6mpq). 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 1.95 Ang Crystal Structure of Oxa-24/40 Beta-Lactamase in Complex the Inhibitor ETX2514, PDB code: 6mpq:

Chlorine binding site 1 out of 1 in the 1.95 Ang Crystal Structure of Oxa-24/40 Beta-Lactamase in Complex the Inhibitor ETX2514


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.95 Ang Crystal Structure of Oxa-24/40 Beta-Lactamase in Complex the Inhibitor ETX2514 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:17.9 occ:0.40 CX A:KCX84 0.8 39.1 0.6 OQ1 A:KCX84 0.9 43.5 0.6 OQ2 A:KCX84 1.2 42.4 0.6 NZ A:KCX84 2.2 36.0 0.6 NE1 A:TRP167 2.9 28.5 1.0 CE A:KCX84 3.3 33.0 0.6 O A:HOH456 3.3 20.6 1.0 NZ A:KCX84 3.6 17.8 0.4 CG A:KCX84 3.7 26.2 0.6 CG A:KCX84 3.8 19.6 0.4 CE2 A:TRP167 3.8 28.3 1.0 CD1 A:TRP167 3.8 27.6 1.0 CE A:KCX84 3.9 18.5 0.4 CG1 A:VAL130 4.0 33.4 1.0 CD A:KCX84 4.0 30.0 0.6 CZ2 A:TRP167 4.1 27.5 1.0 OG A:SER81 4.1 28.1 1.0 CG2 A:VAL130 4.1 33.0 1.0 CA A:SER81 4.1 23.3 1.0 CA A:VAL130 4.2 26.9 1.0 CD2 A:LEU168 4.3 31.8 1.0 CB A:VAL130 4.3 31.7 1.0 CB A:TYR133 4.4 21.5 1.0 CB A:SER81 4.4 24.1 1.0 CD A:KCX84 4.5 19.1 0.4 N A:SER81 4.8 21.7 1.0 O A:ALA80 4.9 22.5 1.0 O A:VAL130 4.9 25.2 1.0 CD2 A:TRP167 5.0 27.6 1.0 CG A:TRP167 5.0 26.9 1.0 CG A:LEU168 5.0 29.4 1.0

M.D.Barnes, V.Kumar, C.R.Bethel, S.H.Moussa, J.O'donnell, J.D.Rutter, C.E.Good, K.M.Hujer, A.M.Hujer, S.H.Marshall, B.N.Kreiswirth, S.S.Richter, P.N.Rather, M.R.Jacobs, K.M.Papp-Wallace, F.Van Den Akker, R.A.Bonomo. Targeting Multidrug-Resistantacinetobacterspp.: Sulbactam and the Diazabicyclooctenone Beta-Lactamase Inhibitor ETX2514 As A Novel Therapeutic Agent. Mbio V. 10 2019.
ISSN: ESSN 2150-7511
PubMed: 30862744
DOI: 10.1128/MBIO.00159-19