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

Protein crystallography data

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

Other elements in 3e5u:

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

Sodium (Na) 1 atom

Chlorine Binding Sites:

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 3e5u

Go back to Chlorine Binding Sites List in 3e5u
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 3e5u

Go back to Chlorine Binding Sites List in 3e5u
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 3e5u

Go back to Chlorine Binding Sites List in 3e5u
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 3e5u

Go back to Chlorine Binding Sites List in 3e5u
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 3e5u

Go back to Chlorine Binding Sites List in 3e5u
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

Reference:

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
Page generated: Sat Dec 12 09:39:39 2020

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