Chlorine in PDB 3zmj: Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61

All present enzymatic activity of Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61:
3.4.21.105;

The structure of Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61, PDB code: 3zmj was solved by K.R.Vinothkumar, O.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)	53.24 / 2.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	110.280, 110.280, 128.240, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 23.1

The binding sites of Chlorine atom in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61 (pdb code 3zmj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61, PDB code: 3zmj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61


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 L61 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:50.5 occ:1.00 N A:ALA93 3.2 56.2 1.0 NE1 A:TRP159 3.3 40.6 0.6 NE1 A:TRP159 3.4 40.5 0.4 CA A:ARG92 3.7 57.4 1.0 CB A:ALA93 3.8 36.9 1.0 CZ2 A:TRP159 3.9 43.0 0.4 C A:ARG92 3.9 58.4 1.0 CE2 A:TRP159 3.9 40.2 0.4 CA A:ALA93 4.1 46.4 1.0 CB A:ARG92 4.2 49.3 1.0 CE2 A:TRP159 4.3 37.7 0.6 CD1 A:TRP159 4.3 37.9 0.6 CZ2 A:TRP159 4.5 40.1 0.6 CD1 A:TRP159 4.5 38.4 0.4 N A:ARG92 4.9 62.1 1.0

Chlorine binding site 2 out of 3 in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61


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 L61 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:58.0 occ:1.00 N A:MET249 3.1 60.0 1.0 O A:HOH2014 3.2 37.5 1.0 NE2 A:HIS254 3.2 38.1 1.0 OG A:SER201 3.4 44.9 1.0 C2 A:L61401 3.4 47.5 1.0 CB A:SER201 3.6 32.2 1.0 CB A:MET249 3.6 58.9 1.0 CG A:MET249 3.6 47.5 1.0 C3 A:L61401 3.6 47.8 1.0 N A:SER248 3.6 58.8 1.0 CE1 A:HIS254 3.7 44.8 1.0 CB A:MET247 3.7 63.8 1.0 CA A:MET249 3.8 57.9 1.0 O A:MET249 4.0 60.3 1.0 O1 A:L61401 4.0 51.1 1.0 C A:SER248 4.1 60.7 1.0 NE2 A:HIS150 4.1 37.7 1.0 CA A:SER248 4.2 60.5 1.0 CB A:SER248 4.2 52.9 1.0 C A:MET249 4.3 50.9 1.0 C A:MET247 4.3 63.0 1.0 SD A:MET249 4.4 53.2 1.0 CD2 A:HIS254 4.4 41.5 1.0 CA A:MET247 4.5 61.0 1.0 CG A:MET247 4.5 64.3 1.0 SD A:MET247 4.6 69.0 1.0 O A:GLY198 4.8 32.7 1.0 CD2 A:HIS150 4.8 47.2 1.0 CE1 A:HIS150 4.9 39.1 1.0 ND1 A:HIS254 5.0 45.3 1.0 C4 A:L61401 5.0 52.5 1.0

Chlorine binding site 3 out of 3 in the Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of E.Coli Rhomboid Protease Glpg in Complex with Monobactam L61 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:60.3 occ:1.00 NZ A:LYS173 3.3 29.3 1.0 NH1 A:ARG214 3.3 43.5 1.0 NH2 A:ARG214 3.7 52.7 1.0 CE A:LYS173 3.9 36.1 1.0 CZ A:ARG214 3.9 50.7 1.0 OD2 A:ASP268 4.0 36.8 1.0 CD2 A:LEU169 4.2 39.6 1.0 CG A:ASP268 4.2 43.8 1.0 CB A:ASP268 4.4 41.3 1.0 OH A:TYR210 4.6 39.1 1.0 OD1 A:ASP268 4.9 39.8 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 0969-2126
PubMed: 23665170
DOI: 10.1016/J.STR.2013.03.013