Chlorine in PDB 3zmh: Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62

All present enzymatic activity of Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62:
3.4.21.105;

The structure of Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62, PDB code: 3zmh was solved by K.R.Vinothkumar, O.A.Pierrat, J.M.Large, M.Freeman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.62 / 2.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	110.150, 110.150, 128.630, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.9

The binding sites of Chlorine atom in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62 (pdb code 3zmh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62, PDB code: 3zmh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:35.3 occ:1.00 O A:HOH2018 3.0 29.9 1.0 OG A:SER201 3.2 30.6 1.0 NE2 A:HIS254 3.2 31.2 1.0 N A:MET249 3.2 43.1 1.0 C2 A:L62401 3.4 32.7 1.0 CB A:SER201 3.4 25.3 1.0 N A:SER248 3.7 38.5 1.0 O1 A:L62401 3.7 33.8 1.0 CG A:MET249 3.7 36.1 1.0 CB A:MET247 3.7 44.2 1.0 CB A:MET249 3.7 40.4 1.0 C3 A:L62401 3.8 29.2 1.0 CE1 A:HIS254 3.8 37.6 1.0 CA A:MET249 4.0 38.7 1.0 NE2 A:HIS150 4.0 29.1 1.0 CA A:SER248 4.2 39.4 1.0 C A:SER248 4.2 40.7 1.0 CB A:SER248 4.2 38.6 1.0 O A:MET249 4.2 42.6 1.0 SD A:MET249 4.3 45.7 1.0 CD2 A:HIS254 4.3 32.2 1.0 C A:MET247 4.4 41.2 1.0 CG A:MET247 4.5 40.1 1.0 CA A:MET247 4.5 45.1 1.0 C A:MET249 4.6 42.4 1.0 SD A:MET247 4.6 47.0 1.0 O A:GLY198 4.7 25.6 1.0 CE1 A:HIS150 4.8 32.3 1.0 CD2 A:HIS150 4.8 33.2 1.0 CA A:SER201 4.9 27.8 1.0

Chlorine binding site 2 out of 2 in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L62 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:42.5 occ:1.00 N A:ALA93 3.2 49.2 1.0 NE1 A:TRP159 3.3 30.9 0.6 NE1 A:TRP159 3.5 30.8 0.4 CA A:ARG92 3.8 51.9 1.0 CB A:ALA93 3.9 30.6 1.0 CZ2 A:TRP159 4.0 32.5 0.4 C A:ARG92 4.0 55.2 1.0 CE2 A:TRP159 4.0 31.2 0.4 CA A:ALA93 4.1 39.3 1.0 CE2 A:TRP159 4.2 29.0 0.6 CD1 A:TRP159 4.3 29.2 0.6 O A:GLU91 4.3 67.5 1.0 CZ2 A:TRP159 4.4 33.4 0.6 CD1 A:TRP159 4.6 29.3 0.4 CB A:ARG92 4.6 45.7 1.0 N A:ARG92 4.7 59.0 1.0 C A:GLU91 4.8 71.0 1.0

K.R.Vinothkumar, O.A.Pierrat, J.M.Large, M.Freeman. Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure V. 21 1051 2013.
ISSN: ISSN 1878-4186
PubMed: 23665170
DOI: 10.1016/J.STR.2013.03.013