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Zinc in PDB 2ilp: Clostridium Botulinum Serotype A Light Chain Inhibited By 4- Chlorocinnamic Hydroxamate

Enzymatic activity of Clostridium Botulinum Serotype A Light Chain Inhibited By 4- Chlorocinnamic Hydroxamate

All present enzymatic activity of Clostridium Botulinum Serotype A Light Chain Inhibited By 4- Chlorocinnamic Hydroxamate:
3.4.24.69;

Protein crystallography data

The structure of Clostridium Botulinum Serotype A Light Chain Inhibited By 4- Chlorocinnamic Hydroxamate, PDB code: 2ilp 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 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.656, 67.694, 98.396, 90.00, 106.53, 90.00
R / Rfree (%) 17.3 / 21.6

Other elements in 2ilp:

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

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Clostridium Botulinum Serotype A Light Chain Inhibited By 4- Chlorocinnamic Hydroxamate (pdb code 2ilp). 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 Serotype A Light Chain Inhibited By 4- Chlorocinnamic Hydroxamate, PDB code: 2ilp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2ilp

Go back to Zinc Binding Sites List in 2ilp
Zinc binding site 1 out of 2 in the Clostridium Botulinum Serotype A Light Chain Inhibited By 4- Chlorocinnamic 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 Serotype A Light Chain Inhibited By 4- Chlorocinnamic Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn500

b:32.7
occ:1.00
OE1 A:GLU262 1.9 30.3 1.0
NE2 A:HIS223 2.0 27.8 1.0
NE2 A:HIS227 2.1 29.1 1.0
O14 A:GB5600 2.1 41.8 1.0
O12 A:GB5600 2.5 46.3 1.0
CD A:GLU262 2.7 31.8 1.0
OE2 A:GLU262 2.8 34.1 1.0
CD2 A:HIS223 2.9 30.9 1.0
N13 A:GB5600 3.0 46.5 1.0
CD2 A:HIS227 3.0 29.2 1.0
CE1 A:HIS223 3.1 31.1 1.0
CE1 A:HIS227 3.1 32.0 1.0
C11 A:GB5600 3.2 47.5 1.0
OE1 A:GLU224 4.0 41.1 1.0
CG A:HIS223 4.1 29.8 1.0
ND1 A:HIS223 4.1 29.1 1.0
CG A:GLU262 4.2 29.6 1.0
ND1 A:HIS227 4.2 29.2 1.0
CG A:HIS227 4.2 28.2 1.0
O A:HOH644 4.3 27.5 1.0
OH A:TYR366 4.4 31.8 1.0
CE2 A:TYR366 4.6 29.6 1.0
C10 A:GB5600 4.6 47.3 1.0
OE2 A:GLU224 4.7 40.4 1.0
CD A:GLU224 4.7 35.1 1.0
CB A:GLU262 4.7 28.8 1.0
CG2 A:THR265 4.8 26.1 1.0
CA A:GLU262 4.8 28.6 1.0
CZ A:TYR366 4.9 30.3 1.0

Zinc binding site 2 out of 2 in 2ilp

Go back to Zinc Binding Sites List in 2ilp
Zinc binding site 2 out of 2 in the Clostridium Botulinum Serotype A Light Chain Inhibited By 4- Chlorocinnamic 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 Serotype A Light Chain Inhibited By 4- Chlorocinnamic Hydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn500

b:33.5
occ:1.00
O14 B:GB5600 2.0 39.3 1.0
OE2 B:GLU262 2.0 32.9 1.0
NE2 B:HIS223 2.0 31.2 1.0
NE2 B:HIS227 2.1 27.1 1.0
O12 B:GB5600 2.6 43.7 1.0
CD B:GLU262 2.7 34.2 1.0
OE1 B:GLU262 2.7 38.5 1.0
N13 B:GB5600 2.9 45.7 1.0
CD2 B:HIS223 3.0 30.5 1.0
CE1 B:HIS227 3.0 30.9 1.0
CE1 B:HIS223 3.1 31.4 1.0
CD2 B:HIS227 3.1 30.6 1.0
C11 B:GB5600 3.2 45.1 1.0
OE1 B:GLU224 3.9 39.5 1.0
CG B:GLU262 4.1 32.1 1.0
ND1 B:HIS223 4.2 30.3 1.0
O B:HOH721 4.2 26.3 1.0
CG B:HIS223 4.2 31.3 1.0
ND1 B:HIS227 4.2 28.6 1.0
CG B:HIS227 4.3 29.5 1.0
OH B:TYR366 4.4 36.6 1.0
CE2 B:TYR366 4.6 34.8 1.0
C10 B:GB5600 4.6 45.0 1.0
CD B:GLU224 4.6 37.1 1.0
OE2 B:GLU224 4.7 40.6 1.0
CB B:GLU262 4.8 30.7 1.0
CA B:GLU262 4.8 30.2 1.0
CZ B:TYR366 4.9 35.5 1.0
CG2 B:THR265 4.9 28.7 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 00:55:50 2024

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