Chlorine in PDB 3e6b: Ocpa Complexed Cprk (C200S)

The structure of Ocpa Complexed Cprk (C200S), PDB code: 3e6b was solved by C.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.26 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.500, 86.510, 125.230, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.2

The binding sites of Chlorine atom in the Ocpa Complexed Cprk (C200S) (pdb code 3e6b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ocpa Complexed Cprk (C200S), PDB code: 3e6b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ocpa Complexed Cprk (C200S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ocpa Complexed Cprk (C200S) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:25.7 occ:1.00 CL A:3C4301 0.0 25.7 1.0 CE1 A:3C4301 1.7 23.0 1.0 CD1 A:3C4301 2.7 23.8 1.0 CZ A:3C4301 2.7 19.8 1.0 OH A:3C4301 3.0 21.5 1.0 NZ A:LYS133 3.4 17.4 1.0 CE1 A:TYR130 3.6 16.4 1.0 CA A:GLY85 3.7 27.4 1.0 CD A:LYS133 3.8 18.3 1.0 CD1 B:LEU131 3.8 18.1 1.0 N A:GLY85 3.8 27.2 1.0 CG1 B:VAL134 3.9 21.7 1.0 CD1 A:TYR130 3.9 17.5 1.0 O A:HOH583 3.9 32.1 1.0 CA A:3C4301 3.9 24.4 1.0 C A:GLY85 4.0 26.9 1.0 CE2 A:3C4301 4.1 22.9 1.0 O A:GLY85 4.1 27.4 1.0 CB B:VAL134 4.2 21.7 1.0 CE A:LYS133 4.3 17.8 1.0 CG2 B:VAL134 4.3 18.9 1.0 CD2 A:3C4301 4.5 24.6 1.0 CZ A:TYR130 4.7 18.7 1.0 N A:LYS86 4.8 26.3 1.0

Chlorine binding site 2 out of 2 in the Ocpa Complexed Cprk (C200S)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ocpa Complexed Cprk (C200S) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:25.7 occ:1.00 CL B:3C4301 0.0 25.7 1.0 CE1 B:3C4301 1.7 23.0 1.0 CD1 B:3C4301 2.7 23.8 1.0 CZ B:3C4301 2.7 19.8 1.0 OH B:3C4301 3.0 21.5 1.0 CE1 B:TYR130 3.6 16.7 1.0 NZ B:LYS133 3.7 21.0 1.0 CA B:GLY85 3.7 18.0 1.0 CD1 A:LEU131 3.8 16.9 1.0 CD B:LYS133 3.8 18.6 1.0 N B:GLY85 3.8 17.6 1.0 CG1 A:VAL134 3.8 22.7 1.0 CA B:3C4301 3.9 24.4 1.0 O B:HOH503 4.0 19.1 1.0 CD1 B:TYR130 4.0 13.3 1.0 CB A:VAL134 4.0 20.2 1.0 C B:GLY85 4.0 19.0 1.0 CE2 B:3C4301 4.1 22.9 1.0 CG2 A:VAL134 4.2 21.3 1.0 O B:GLY85 4.2 18.6 1.0 CE B:LYS133 4.4 17.6 1.0 CD2 B:3C4301 4.5 24.6 1.0 CZ B:TYR130 4.7 16.4 1.0 N B:LYS86 4.7 19.5 1.0

C.Levy, K.Pike, D.J.Heyes, M.G.Joyce, K.Gabor, H.Smidt, J.Van Der Oost, D.Leys. Molecular Basis of Halorespiration Control By Cprk, A Crp-Fnr Type Transcriptional Regulator Mol.Microbiol. V. 70 151 2008.
ISSN: ISSN 0950-382X
PubMed: 18717788
DOI: 10.1111/J.1365-2958.2008.06399.X