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Zinc 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:

Chlorine (Cl) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By 2,4-Dichlorocinnamic Hydroxamate, PDB code: 2ima:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2ima

Go back to Zinc Binding Sites List in 2ima
Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn500

b:37.6
occ:1.00
OE1 A:GLU262 1.9 31.3 1.0
NE2 A:HIS223 2.0 33.5 1.0
NE2 A:HIS227 2.1 34.4 1.0
O14 A:GB4600 2.1 45.1 1.0
O12 A:GB4600 2.4 53.6 1.0
CD A:GLU262 2.6 34.1 1.0
OE2 A:GLU262 2.6 33.3 1.0
CD2 A:HIS223 2.9 34.9 1.0
CE1 A:HIS223 3.0 34.9 1.0
CD2 A:HIS227 3.0 30.1 1.0
N13 A:GB4600 3.0 52.7 1.0
C11 A:GB4600 3.1 53.2 1.0
CE1 A:HIS227 3.2 35.4 1.0
OE1 A:GLU224 4.0 42.7 1.0
CG A:GLU262 4.1 31.5 1.0
ND1 A:HIS223 4.1 33.4 1.0
CG A:HIS223 4.1 34.8 1.0
CG A:HIS227 4.2 31.4 1.0
ND1 A:HIS227 4.2 29.1 1.0
O A:HOH1405 4.2 36.3 1.0
OH A:TYR366 4.4 32.3 1.0
CE2 A:TYR366 4.5 29.0 1.0
C10 A:GB4600 4.6 53.8 1.0
CB A:GLU262 4.7 31.8 1.0
CD A:GLU224 4.7 39.0 1.0
CA A:GLU262 4.7 31.9 1.0
OE2 A:GLU224 4.8 38.1 1.0
CZ A:TYR366 4.9 30.8 1.0
CG2 A:THR265 4.9 30.1 1.0

Zinc binding site 2 out of 2 in 2ima

Go back to Zinc Binding Sites List in 2ima
Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn 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
B:Zn500

b:36.1
occ:1.00
OE2 B:GLU262 1.9 33.1 1.0
O14 B:GB4600 2.0 42.1 1.0
NE2 B:HIS223 2.0 31.7 1.0
NE2 B:HIS227 2.1 32.3 1.0
CD B:GLU262 2.6 33.3 1.0
OE1 B:GLU262 2.6 36.8 1.0
O12 B:GB4600 2.7 50.7 1.0
CD2 B:HIS223 2.9 34.5 1.0
CD2 B:HIS227 3.0 33.0 1.0
N13 B:GB4600 3.0 50.5 1.0
CE1 B:HIS223 3.0 34.7 1.0
CE1 B:HIS227 3.2 33.7 1.0
C11 B:GB4600 3.3 50.2 1.0
CG B:GLU262 4.1 31.1 1.0
CG B:HIS223 4.1 34.5 1.0
ND1 B:HIS223 4.1 33.9 1.0
OE1 B:GLU224 4.1 43.9 1.0
CG B:HIS227 4.2 32.6 1.0
ND1 B:HIS227 4.2 35.4 1.0
OH B:TYR366 4.4 36.0 1.0
OE2 B:GLU224 4.5 40.0 1.0
CE2 B:TYR366 4.6 34.3 1.0
CD B:GLU224 4.7 41.0 1.0
CB B:GLU262 4.7 31.3 1.0
C10 B:GB4600 4.7 51.0 1.0
CA B:GLU262 4.8 31.1 1.0
CG2 B:THR265 4.8 32.3 1.0
CZ B:TYR366 4.9 34.5 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: Thu Oct 17 00:55:52 2024

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