Chlorine in PDB 3e5u: Ocpa Complexed Cprk (C200S)

The structure of Ocpa Complexed Cprk (C200S), PDB code: 3e5u was solved by C.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.21 / 1.83
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.141, 117.170, 84.876, 90.00, 94.65, 90.00
R / Rfree (%)	18.2 / 22.7

The structure of Ocpa Complexed Cprk (C200S) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Ocpa Complexed Cprk (C200S) (pdb code 3e5u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Ocpa Complexed Cprk (C200S), PDB code: 3e5u:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 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 C:Cl504 b:18.2 occ:1.00 CL C:3C4504 0.0 18.2 1.0 CE1 C:3C4504 1.8 16.1 1.0 CD1 C:3C4504 2.7 13.9 1.0 CZ C:3C4504 2.8 18.1 1.0 OH C:3C4504 3.0 17.2 1.0 CA C:GLY85 3.7 20.0 1.0 CE2 C:TYR130 3.7 22.4 1.0 NZ C:LYS133 3.7 23.1 1.0 CD C:LYS133 3.7 19.6 1.0 O C:HOH1004 3.7 18.4 1.0 CD1 D:LEU131 3.8 19.4 1.0 N C:GLY85 3.8 20.2 1.0 CG1 D:VAL134 3.9 18.8 1.0 CA C:3C4504 3.9 17.7 1.0 CD2 C:TYR130 4.0 19.1 1.0 C C:GLY85 4.0 20.9 1.0 O C:GLY85 4.0 20.2 1.0 CE2 C:3C4504 4.1 19.7 1.0 CB D:VAL134 4.2 20.5 1.0 CE C:LYS133 4.3 22.4 1.0 CG2 D:VAL134 4.3 19.5 1.0 CD2 C:3C4504 4.4 19.1 1.0 CZ C:TYR130 4.8 21.6 1.0 N C:LYS86 4.8 19.7 1.0

Chlorine binding site 2 out of 5 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 A:Cl501 b:16.5 occ:1.00 CL A:3C4501 0.0 16.5 1.0 CE1 A:3C4501 1.7 19.1 1.0 CD1 A:3C4501 2.7 15.2 1.0 CZ A:3C4501 2.8 14.8 1.0 OH A:3C4501 3.0 15.7 1.0 NZ A:LYS133 3.5 20.1 1.0 CE2 A:TYR130 3.6 18.7 1.0 CA A:GLY85 3.7 19.7 1.0 CD A:LYS133 3.7 18.4 1.0 N A:GLY85 3.7 18.6 1.0 O A:HOH1231 3.8 19.6 1.0 CG1 B:VAL134 3.9 19.6 1.0 CD1 B:LEU131 3.9 18.9 1.0 CD2 A:TYR130 3.9 19.4 1.0 C A:GLY85 3.9 19.0 1.0 CA A:3C4501 4.0 17.8 1.0 O A:GLY85 4.1 18.6 1.0 CE2 A:3C4501 4.1 16.8 1.0 CB B:VAL134 4.2 20.2 1.0 CE A:LYS133 4.3 21.1 1.0 CG2 B:VAL134 4.3 18.0 1.0 CD2 A:3C4501 4.5 18.7 1.0 N A:LYS86 4.7 19.3 1.0 CZ A:TYR130 4.8 20.1 1.0

Chlorine binding site 3 out of 5 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 3 of Ocpa Complexed Cprk (C200S) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:45.4 occ:1.00 CL A:3C4505 0.0 45.4 1.0 CE1 A:3C4505 1.7 38.0 1.0 CD1 A:3C4505 2.6 36.0 1.0 CZ A:3C4505 2.7 36.4 1.0 OH A:3C4505 3.0 41.3 1.0 NH2 A:ARG103 3.5 25.7 1.0 CA A:3C4505 3.9 36.4 1.0 CE2 A:3C4505 4.0 38.2 1.0 CZ A:ARG103 4.1 24.4 1.0 OD2 A:ASP36 4.1 18.1 1.0 NE A:ARG103 4.3 22.4 1.0 CD2 A:3C4505 4.4 34.2 1.0 O A:HOH1675 4.4 35.4 1.0 CG A:ASP36 4.6 18.4 1.0 OD1 A:ASP36 4.9 20.6 1.0 NH1 A:ARG103 4.9 23.2 1.0

Chlorine binding site 4 out of 5 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 4 of Ocpa Complexed Cprk (C200S) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:19.1 occ:1.00 CL D:3C4502 0.0 19.1 1.0 CE1 D:3C4502 1.7 15.4 1.0 CD1 D:3C4502 2.7 17.7 1.0 CZ D:3C4502 2.8 13.1 1.0 OH D:3C4502 3.1 15.8 1.0 NZ D:LYS133 3.5 19.9 1.0 CA D:GLY85 3.6 21.6 1.0 CE2 D:TYR130 3.6 20.9 1.0 N D:GLY85 3.8 21.8 1.0 CD1 C:LEU131 3.8 18.6 1.0 CG1 C:VAL134 3.8 18.2 1.0 CD D:LYS133 3.8 19.2 1.0 O D:HOH1039 3.9 16.9 1.0 C D:GLY85 3.9 19.8 1.0 O D:GLY85 3.9 20.9 1.0 CD2 D:TYR130 4.0 20.8 1.0 CA D:3C4502 4.0 17.6 1.0 CE2 D:3C4502 4.1 18.4 1.0 CB C:VAL134 4.2 18.7 1.0 CE D:LYS133 4.2 20.7 1.0 CG2 C:VAL134 4.4 19.2 1.0 CD2 D:3C4502 4.5 18.1 1.0 N D:LYS86 4.7 20.4 1.0 CZ D:TYR130 4.8 18.6 1.0

Chlorine binding site 5 out of 5 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 5 of Ocpa Complexed Cprk (C200S) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:18.6 occ:1.00 CL B:3C4503 0.0 18.6 1.0 CE1 B:3C4503 1.8 18.9 1.0 CD1 B:3C4503 2.8 16.1 1.0 CZ B:3C4503 2.8 16.5 1.0 OH B:3C4503 3.0 17.0 1.0 CE2 B:TYR130 3.5 23.3 1.0 NZ B:LYS133 3.6 23.9 1.0 CA B:GLY85 3.7 20.8 1.0 CD B:LYS133 3.8 19.4 1.0 N B:GLY85 3.8 20.4 1.0 O B:HOH1229 3.8 17.7 1.0 CD1 A:LEU131 3.8 16.3 1.0 CD2 B:TYR130 3.9 22.8 1.0 C B:GLY85 3.9 21.9 1.0 CG1 A:VAL134 4.0 18.9 1.0 O B:GLY85 4.0 21.7 1.0 CA B:3C4503 4.0 17.6 1.0 CE2 B:3C4503 4.1 14.2 1.0 CB A:VAL134 4.2 19.4 1.0 CG2 A:VAL134 4.3 17.0 1.0 CE B:LYS133 4.3 21.2 1.0 CD2 B:3C4503 4.5 16.4 1.0 CZ B:TYR130 4.7 20.5 1.0 N B:LYS86 4.8 20.6 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