Atomistry » Chlorine » PDB 6x6o-6xi9 » 6xcf
Atomistry »
  Chlorine »
    PDB 6x6o-6xi9 »
      6xcf »

Chlorine in PDB 6xcf: Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59

Enzymatic activity of Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59

All present enzymatic activity of Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59:
3.4.24.69;

Protein crystallography data

The structure of Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59, PDB code: 6xcf was solved by M.A.Tararina, K.N.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.29 / 1.68
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.339, 66.245, 64.057, 90.00, 98.52, 90.00
R / Rfree (%) 15.9 / 19.9

Other elements in 6xcf:

The structure of Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59 (pdb code 6xcf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59, PDB code: 6xcf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6xcf

Go back to Chlorine Binding Sites List in 6xcf
Chlorine binding site 1 out of 2 in the Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:43.5
occ:1.00
CL07 A:UZP601 0.0 43.5 1.0
C06 A:UZP601 1.8 44.5 1.0
C08 A:UZP601 2.7 47.4 1.0
C05 A:UZP601 2.8 33.2 1.0
C04 A:UZP601 3.1 35.3 1.0
NH1 A:ARG363 3.3 26.9 1.0
O A:HOH789 3.3 34.7 1.0
O A:HOH713 3.4 27.3 1.0
O A:HOH827 3.8 31.7 1.0
O01 A:UZP601 3.9 29.1 1.0
CE1 A:TYR366 4.0 24.6 1.0
C09 A:UZP601 4.0 46.9 1.0
OH A:TYR366 4.1 22.6 1.0
C12 A:UZP601 4.1 36.3 1.0
C13 A:UZP601 4.1 24.8 1.0
C02 A:UZP601 4.1 31.0 1.0
CZ A:TYR366 4.2 23.1 1.0
C03 A:UZP601 4.2 30.9 1.0
CE1 A:PHE194 4.2 38.0 1.0
OD2 A:ASP370 4.3 35.3 1.0
OD1 A:ASP370 4.3 30.3 1.0
O A:HOH786 4.3 38.2 1.0
O17 A:UZP601 4.4 23.2 1.0
CZ A:ARG363 4.4 24.3 1.0
O A:HOH796 4.4 35.1 1.0
C11 A:UZP601 4.5 40.4 1.0
NH2 A:ARG363 4.7 27.4 1.0
CG A:ASP370 4.7 32.3 1.0
C14 A:UZP601 4.7 27.5 1.0
CD1 A:TYR366 4.8 20.4 1.0
CD1 A:PHE194 4.9 38.7 1.0

Chlorine binding site 2 out of 2 in 6xcf

Go back to Chlorine Binding Sites List in 6xcf
Chlorine binding site 2 out of 2 in the Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the C. Botulinum Neurotoxin Serotype A Light Chain Protease in Complex with Noncovalent Inhibitor 59 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:56.3
occ:1.00
CL10 A:UZP601 0.0 56.3 1.0
C09 A:UZP601 1.8 46.9 1.0
C08 A:UZP601 2.7 47.4 1.0
C11 A:UZP601 2.7 40.4 1.0
CG1 A:VAL70 3.1 48.1 1.0
OD2 A:ASP370 3.7 35.3 1.0
CD1 A:ILE161 3.8 46.8 1.0
CB A:VAL70 4.0 49.4 1.0
C06 A:UZP601 4.0 44.5 1.0
C12 A:UZP601 4.0 36.3 1.0
O A:VAL70 4.1 51.2 1.0
CZ A:PHE194 4.4 36.0 1.0
O A:HOH857 4.5 46.9 1.0
C05 A:UZP601 4.5 33.2 1.0
CG A:ASP370 4.7 32.3 1.0
C A:VAL70 4.9 53.9 1.0
NE2 A:GLN162 4.9 51.2 1.0
O A:HOH786 4.9 38.2 1.0
CG2 A:VAL70 4.9 51.0 1.0
CG1 A:ILE161 5.0 43.0 1.0
CE1 A:PHE194 5.0 38.0 1.0

Reference:

L.Lin, M.E.Olson, T.Sugane, L.D.Turner, M.A.Tararina, A.L.Nielsen, E.K.Kurbanov, S.Pellett, E.A.Johnson, S.M.Cohen, K.N.Allen, K.D.Janda. Catch and Anchor Approach to Combat Both Toxicity and Longevity of Botulinum Toxin A. J.Med.Chem. V. 63 11100 2020.
ISSN: ISSN 0022-2623
PubMed: 32886509
DOI: 10.1021/ACS.JMEDCHEM.0C01006
Page generated: Sat Jul 12 21:36:22 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy