Chlorine in PDB 3bro: Crystal Structure of the Transcription Regulator Marr From Oenococcus Oeni Psu-1

The structure of Crystal Structure of the Transcription Regulator Marr From Oenococcus Oeni Psu-1, PDB code: 3bro was solved by Y.Kim, L.Volkart, M.Gu, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.72 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.489, 80.426, 143.257, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of the Transcription Regulator Marr From Oenococcus Oeni Psu-1 (pdb code 3bro). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Transcription Regulator Marr From Oenococcus Oeni Psu-1, PDB code: 3bro:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Transcription Regulator Marr From Oenococcus Oeni Psu-1


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 Transcription Regulator Marr From Oenococcus Oeni Psu-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:38.4 occ:1.00 O A:HOH272 2.9 41.6 1.0 O A:HOH386 3.0 55.3 1.0 N A:LEU93 3.2 39.0 1.0 O A:HOH363 3.4 60.3 1.0 CB A:LEU93 3.9 38.2 1.0 CA A:LYS92 3.9 38.2 0.5 CG A:LEU93 3.9 37.4 1.0 CG A:LYS44 4.0 47.2 1.0 CA A:LYS92 4.1 38.0 0.5 C A:LYS92 4.1 38.1 0.5 CD A:LYS92 4.1 40.9 0.5 CA A:LEU93 4.1 38.4 1.0 C A:LYS92 4.1 38.0 0.5 CE A:LYS44 4.1 49.0 1.0 CB A:LYS92 4.2 38.3 0.5 CD1 A:LEU93 4.4 38.4 1.0 CD A:LYS44 4.4 48.4 1.0 O A:HOH278 4.5 50.7 1.0 O A:LEU93 4.6 36.6 1.0 CE A:LYS92 4.6 39.7 0.5 CB A:LYS92 4.7 37.5 0.5 O A:HOH257 4.7 34.0 1.0 CD A:LYS92 4.7 39.4 0.5 O A:HOH372 4.7 64.3 1.0 CG A:LYS92 4.7 39.9 0.5 NZ A:LYS92 4.8 40.6 0.5 O A:LEU91 4.9 37.0 1.0 C A:LEU93 4.9 37.8 1.0 CB A:LYS44 5.0 47.6 1.0 NZ A:LYS44 5.0 51.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Transcription Regulator Marr From Oenococcus Oeni Psu-1


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 Transcription Regulator Marr From Oenococcus Oeni Psu-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:34.6 occ:1.00 NE A:ARG42 3.2 44.6 1.0 NH2 B:ARG7 3.3 31.4 1.0 ND2 A:ASN43 3.4 42.6 1.0 NH1 B:ARG7 3.4 33.4 1.0 O B:HOH182 3.5 40.2 1.0 NH2 A:ARG42 3.8 43.5 1.0 CD1 A:TYR39 3.8 48.1 1.0 CZ B:ARG7 3.8 32.5 1.0 O A:HOH339 3.9 60.9 1.0 CZ A:ARG42 4.0 46.1 1.0 CB A:ARG42 4.1 40.5 1.0 CD A:ARG42 4.1 41.1 1.0 CG B:ARG3 4.2 37.9 1.0 CA A:TYR39 4.4 37.6 1.0 CG A:ASN43 4.5 45.9 1.0 CE1 A:TYR39 4.6 52.1 1.0 O A:TYR39 4.6 36.0 1.0 CB B:ARG3 4.7 40.0 1.0 CG A:ARG42 4.7 40.6 1.0 CG A:TYR39 4.7 43.8 1.0 CB A:TYR39 4.8 40.0 1.0 OD1 A:ASN43 4.8 48.0 1.0 OD1 B:ASN-1 5.0 64.2 1.0

Y.Kim, L.Volkart, M.Gu, A.Joachimiak. Crystal Structure of the Transcription Regulator Marr From Oenococcus Oeni Psu-1. To Be Published.