Atomistry » Chlorine » PDB 2ii3-2iwk » 2ima
Atomistry »
  Chlorine »
    PDB 2ii3-2iwk »
      2ima »

Chlorine in PDB 2ima: Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate

Enzymatic activity of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate

All present enzymatic activity of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate:
3.4.24.69;

Protein crystallography data

The structure of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate, PDB code: 2ima was solved by N.R.Silvaggi, K.N.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.445, 67.257, 98.194, 90.00, 106.53, 90.00
R / Rfree (%) 18.9 / 23.7

Other elements in 2ima:

The structure of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate (pdb code 2ima). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate, PDB code: 2ima:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2ima

Go back to Chlorine Binding Sites List in 2ima
Chlorine binding site 1 out of 4 in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:54.4
occ:1.00
 CL8 A:GB4600 0.0 54.4 1.0
C6 A:GB4600 1.8 53.3 1.0
C5 A:GB4600 2.7 53.2 1.0
C1 A:GB4600 2.8 53.3 1.0
NH1 A:ARG363 3.0 36.3 1.0
C9 A:GB4600 3.1 53.9 1.0
CD1 A:PHE369 3.5 40.6 1.0
CE1 A:PHE369 3.5 41.5 1.0
CZ A:ARG363 3.6 36.2 1.0
C4 A:GB4600 4.0 53.6 1.0
O A:HOH1414 4.0 43.5 1.0
C2 A:GB4600 4.0 54.2 1.0
CE2 A:TYR366 4.1 29.0 1.0
CZ A:TYR366 4.1 30.8 1.0
CZ A:PHE194 4.1 34.6 1.0
O A:TYR366 4.1 33.9 1.0
NE A:ARG363 4.2 34.5 1.0
OH A:TYR366 4.2 32.3 1.0
NH2 A:ARG363 4.3 36.8 1.0
CE1 A:PHE194 4.3 33.3 1.0
C10 A:GB4600 4.4 53.8 1.0
CG A:PHE369 4.5 39.7 1.0
CZ A:PHE369 4.5 41.0 1.0
C3 A:GB4600 4.5 54.3 1.0
CD2 A:TYR366 4.6 27.4 1.0
CE1 A:TYR366 4.7 31.9 1.0
CE2 A:PHE194 4.8 34.6 1.0
O12 A:GB4600 4.8 53.6 1.0

Chlorine binding site 2 out of 4 in 2ima

Go back to Chlorine Binding Sites List in 2ima
Chlorine binding site 2 out of 4 in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:52.4
occ:1.00
 CL7 A:GB4600 0.0 52.4 1.0
C4 A:GB4600 1.8 53.6 1.0
C5 A:GB4600 2.7 53.2 1.0
C3 A:GB4600 2.8 54.3 1.0
CB A:PHE194 3.6 33.2 1.0
CG A:PHE194 3.7 34.3 1.0
CD1 A:ILE161 4.0 42.1 1.0
C6 A:GB4600 4.0 53.3 1.0
CD1 A:PHE194 4.1 35.4 1.0
C2 A:GB4600 4.1 54.2 1.0
CB A:VAL70 4.1 45.2 1.0
CD2 A:PHE194 4.2 33.9 1.0
CE2 A:PHE369 4.2 41.8 1.0
CD2 A:PHE369 4.2 42.6 1.0
C1 A:GB4600 4.6 53.3 1.0
CB A:ILE161 4.8 40.8 1.0
CZ A:PHE369 4.8 41.0 1.0
O A:ASP370 4.8 42.2 1.0
CG A:PHE369 4.8 39.7 1.0
CE1 A:PHE194 4.8 33.3 1.0
CE2 A:PHE194 4.9 34.6 1.0
CG1 A:ILE161 4.9 41.5 1.0

Chlorine binding site 3 out of 4 in 2ima

Go back to Chlorine Binding Sites List in 2ima
Chlorine binding site 3 out of 4 in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl600

b:51.8
occ:1.00
 CL8 B:GB4600 0.0 51.8 1.0
C6 B:GB4600 1.8 50.7 1.0
C5 B:GB4600 2.7 50.8 1.0
C1 B:GB4600 2.8 51.1 1.0
NH2 B:ARG363 3.0 31.2 1.0
C9 B:GB4600 3.1 51.1 1.0
CE1 B:PHE369 3.5 45.1 1.0
CD1 B:PHE369 3.7 43.3 1.0
CZ B:ARG363 3.7 34.2 1.0
O B:TYR366 3.9 36.5 1.0
C4 B:GB4600 4.0 51.0 1.0
CE2 B:TYR366 4.0 34.3 1.0
C2 B:GB4600 4.1 51.6 1.0
CZ B:TYR366 4.1 34.5 1.0
O B:HOH1081 4.1 29.0 1.0
OH B:TYR366 4.2 36.0 1.0
NE B:ARG363 4.3 31.0 1.0
CZ B:PHE369 4.3 44.4 1.0
CZ B:PHE194 4.3 34.7 1.0
C10 B:GB4600 4.4 51.0 1.0
CE1 B:PHE194 4.4 34.4 1.0
CD2 B:TYR366 4.5 34.0 1.0
CG B:PHE369 4.5 42.0 1.0
NH1 B:ARG363 4.5 33.0 1.0
C3 B:GB4600 4.5 51.6 1.0
CE1 B:TYR366 4.6 34.7 1.0
O12 B:GB4600 4.7 50.7 1.0
CE2 B:PHE369 5.0 44.2 1.0

Chlorine binding site 4 out of 4 in 2ima

Go back to Chlorine Binding Sites List in 2ima
Chlorine binding site 4 out of 4 in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl600

b:51.2
occ:1.00
 CL7 B:GB4600 0.0 51.2 1.0
C4 B:GB4600 1.8 51.0 1.0
C5 B:GB4600 2.7 50.8 1.0
C3 B:GB4600 2.8 51.6 1.0
CG2 B:VAL70 3.3 43.8 1.0
CB B:PHE194 3.5 32.8 1.0
CG B:PHE194 3.7 32.9 1.0
CD1 B:ILE161 3.8 41.7 1.0
CD1 B:PHE194 3.9 36.3 1.0
CD2 B:PHE369 3.9 43.9 1.0
C6 B:GB4600 4.0 50.7 1.0
CE2 B:PHE369 4.0 44.2 1.0
C2 B:GB4600 4.1 51.6 1.0
CG1 B:VAL70 4.1 45.8 1.0
CD2 B:PHE194 4.3 33.7 1.0
CB B:VAL70 4.3 43.8 1.0
CG1 B:ILE161 4.4 40.2 1.0
O B:ASP370 4.5 42.7 1.0
CG B:PHE369 4.6 42.0 1.0
C1 B:GB4600 4.6 51.1 1.0
CE1 B:PHE194 4.6 34.4 1.0
O B:VAL70 4.8 44.2 1.0
CZ B:PHE369 4.8 44.4 1.0
CB B:ILE161 5.0 40.5 1.0
CE2 B:PHE194 5.0 34.3 1.0

Reference:

N.R.Silvaggi, G.E.Boldt, M.S.Hixon, J.P.Kennedy, S.Tzipori, K.D.Janda, K.N.Allen. Structures of Clostridium Botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility. Chem.Biol. V. 14 533 2007.
ISSN: ISSN 1074-5521
PubMed: 17524984
DOI: 10.1016/J.CHEMBIOL.2007.03.014
Page generated: Sat Dec 12 09:09:01 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy