Chlorine in PDB 2h9b: Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S)

The structure of Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S), PDB code: 2h9b was solved by O.C.Ezezika, S.H.Craven, E.L.Neidle, C.Momany, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.70 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.510, 66.587, 117.971, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21

The binding sites of Chlorine atom in the Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S) (pdb code 2h9b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S), PDB code: 2h9b:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl754 b:24.0 occ:1.00 O A:HOH802 3.0 19.0 1.0 O A:HOH784 3.0 19.6 1.0 NH1 A:ARG160 3.2 28.2 1.0 N A:LEU104 3.2 11.8 1.0 O A:HOH803 3.4 14.5 1.0 NE A:ARG160 3.4 24.6 1.0 CD1 A:ILE269 3.6 16.1 1.0 O A:HOH947 3.6 33.4 1.0 CB A:LEU104 3.7 12.6 1.0 CG A:LEU104 3.7 14.9 1.0 CZ A:ARG160 3.8 25.2 1.0 CD1 A:LEU104 4.0 17.6 1.0 CA A:GLY103 4.0 11.7 1.0 CA A:LEU104 4.1 12.2 1.0 C A:GLY103 4.1 11.6 1.0 O A:HOH838 4.5 26.6 1.0 CD A:ARG160 4.7 19.9 1.0 OE2 A:GLU162 4.7 20.1 1.0 OH A:TYR293 4.7 19.3 1.0 CD A:GLU162 4.9 16.1 1.0 N A:LEU105 4.9 11.7 1.0 C A:LEU104 5.0 11.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl756 b:54.5 occ:1.00 O A:HOH1095 2.9 34.3 1.0 N A:LYS180 3.2 27.6 1.0 CG A:LYS180 3.3 29.8 1.0 CB A:LYS180 3.5 27.9 1.0 CD A:LYS180 3.6 28.9 1.0 O A:HOH1027 3.6 46.6 1.0 CA A:MET177 3.6 24.4 1.0 CB A:ASP179 3.7 28.7 1.0 N A:ASP179 3.9 27.4 1.0 CA A:LYS180 3.9 26.9 1.0 C A:MET177 4.0 25.6 1.0 O A:HOH1037 4.0 59.0 1.0 CB A:MET177 4.0 25.5 1.0 CA A:ASP179 4.1 27.8 1.0 C A:ASP179 4.1 28.1 1.0 O A:GLN176 4.2 23.0 1.0 O A:HOH1089 4.3 88.9 1.0 O A:MET177 4.4 25.6 1.0 N A:LYS178 4.5 26.3 1.0 O A:HOH1019 4.6 61.1 1.0 CG A:ASP179 4.6 31.9 1.0 OD2 A:ASP179 4.8 37.7 1.0 N A:MET177 4.8 23.2 1.0 C A:LYS178 4.9 26.7 1.0 C A:GLN176 4.9 21.9 1.0 N A:GLY181 5.0 24.4 1.0 CE A:LYS180 5.0 31.8 1.0 C A:LYS180 5.0 26.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Effector Binding Domain of A Benm Variant (Benm R156H/T157S) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl755 b:15.0 occ:1.00 OG B:SER99 3.1 10.3 0.5 N B:VAL227 3.2 13.1 1.0 NH2 B:ARG146 3.3 11.2 1.0 O B:HOH842 3.3 21.6 1.0 NH1 B:ARG146 3.4 13.1 1.0 CB B:GLU226 3.6 15.2 1.0 O B:HOH1048 3.7 33.7 1.0 CD2 B:TYR195 3.7 13.1 1.0 CZ B:ARG146 3.8 12.5 1.0 CA B:GLU226 3.8 14.7 1.0 CB B:VAL227 3.9 13.4 1.0 CB B:SER99 3.9 11.2 0.5 CB B:SER99 3.9 11.4 0.5 CG1 B:VAL227 4.0 17.2 1.0 C B:GLU226 4.0 13.3 1.0 CE2 B:TYR195 4.1 16.5 1.0 CA B:VAL227 4.1 13.4 1.0 O B:HOH1069 4.2 32.3 1.0 OG B:SER99 4.3 14.2 0.5 CB B:PRO196 4.4 13.9 1.0 OE1 B:GLU226 4.7 31.9 1.0 CG B:TYR195 4.7 14.3 1.0 O B:HOH868 4.8 37.4 1.0 CG B:GLU226 4.8 19.6 1.0 CG B:PRO196 4.8 13.8 1.0 CD B:PRO196 4.9 12.9 1.0 N B:PRO196 4.9 12.7 1.0

S.H.Craven, O.C.Ezezika, S.Haddad, R.A.Hall, C.Momany, E.L.Neidle. Inducer Responses of Benm, A Lysr-Type Transcriptional Regulator From Acinetobacter Baylyi ADP1. Mol.Microbiol. V. 72 881 2009.
ISSN: ISSN 0950-382X
PubMed: 19400783
DOI: 10.1111/J.1365-2958.2009.06686.X