Atomistry » Chlorine » PDB 4fv3-4g7y » 4fxq
Atomistry »
  Chlorine »
    PDB 4fv3-4g7y »
      4fxq »

Chlorine in PDB 4fxq: Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6

Protein crystallography data

The structure of Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6, PDB code: 4fxq was solved by D.D.Visschedyk, S.Dimov, M.S.Kimber, H.W.Park, A.R.Merrill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.50 / 1.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.310, 100.290, 191.090, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.7

Other elements in 4fxq:

The structure of Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6 also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6 (pdb code 4fxq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6, PDB code: 4fxq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4fxq

Go back to Chlorine Binding Sites List in 4fxq
Chlorine binding site 1 out of 3 in the Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:77.8
occ:1.00
OG A:SER344 3.3 43.6 1.0
N A:SER344 3.4 30.4 1.0
CA A:VAL343 4.0 24.5 1.0
CB A:VAL343 4.1 23.5 1.0
CB A:SER344 4.1 41.1 1.0
C A:VAL343 4.2 28.2 1.0
CA A:SER344 4.3 31.1 1.0
CE1 A:TYR403 4.4 51.4 1.0
O A:SER344 4.6 29.5 1.0
CG1 A:VAL343 4.7 25.5 1.0
CB A:LEU346 4.7 45.9 1.0
C A:SER344 4.8 35.1 1.0
CD1 A:TYR403 4.9 43.5 1.0

Chlorine binding site 2 out of 3 in 4fxq

Go back to Chlorine Binding Sites List in 4fxq
Chlorine binding site 2 out of 3 in the Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:64.2
occ:1.00
OH A:TYR284 3.4 27.0 1.0
NH2 A:ARG341 3.6 33.8 1.0
CE1 A:TYR284 4.1 26.7 1.0
CZ A:TYR284 4.1 26.4 1.0
O A:HOH603 4.2 22.0 1.0
ND2 A:ASN384 4.3 43.4 1.0
ND2 A:ASN288 4.4 32.0 1.0
CB A:ASN288 4.6 25.6 1.0
CG A:ASN384 4.7 41.8 1.0
CZ A:ARG341 4.7 38.1 1.0
CG A:ASN288 4.7 30.1 1.0
CAO A:G9L501 4.8 32.8 1.0
CB A:ASN384 4.9 27.6 1.0
NH1 A:ARG341 5.0 28.4 1.0
CD A:ARG292 5.0 58.0 1.0

Chlorine binding site 3 out of 3 in 4fxq

Go back to Chlorine Binding Sites List in 4fxq
Chlorine binding site 3 out of 3 in the Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Full-Length Certhrax Toxin From Bacillus Cereus in Complex with Inhibitor P6 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:54.3
occ:1.00
O B:HOH806 2.4 53.3 1.0
OH B:TYR284 3.0 26.6 1.0
NH2 B:ARG341 3.4 32.9 1.0
CZ B:TYR284 3.8 24.5 1.0
CE1 B:TYR284 3.9 26.7 1.0
O B:HOH605 4.1 23.8 1.0
O B:HOH684 4.2 40.1 1.0
CAO B:G9L501 4.3 25.0 1.0
ND2 B:ASN384 4.4 37.2 1.0
CZ B:ARG341 4.5 38.7 1.0
ND2 B:ASN288 4.5 29.5 1.0
NH1 B:ARG341 4.6 30.6 1.0
CB B:ASN288 4.8 24.3 1.0
NE B:ARG292 4.8 76.6 1.0
N12 B:G9L501 4.8 29.1 1.0
CG B:ASN384 4.9 36.4 1.0
CG B:ASN288 4.9 32.7 1.0
OAA B:G9L501 5.0 32.8 1.0

Reference:

D.Visschedyk, A.Rochon, W.Tempel, S.Dimov, H.W.Park, A.R.Merrill. Certhrax Toxin, An Anthrax-Related Adp-Ribosyltransferase From Bacillus Cereus. J.Biol.Chem. V. 287 41089 2012.
ISSN: ISSN 0021-9258
PubMed: 22992735
DOI: 10.1074/JBC.M112.412809
Page generated: Sun Jul 21 14:09:09 2024

Last articles

Cl in 3SCI
Cl in 3SBP
Cl in 3SBO
Cl in 3SBQ
Cl in 3SB5
Cl in 3SBB
Cl in 3SB6
Cl in 3S9S
Cl in 3SBA
Cl in 3SB0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy