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Zinc in PDB 4zjx: Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor

Enzymatic activity of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor, PDB code: 4zjx was solved by D.Kumaran, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.83 / 1.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.889, 66.367, 64.863, 90.00, 98.51, 90.00
R / Rfree (%) 17.7 / 22.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor (pdb code 4zjx). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor, PDB code: 4zjx:

Zinc binding site 1 out of 1 in 4zjx

Go back to Zinc Binding Sites List in 4zjx
Zinc binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:29.2
occ:1.00
O B:DAB197 2.0 36.2 1.0
OE1 A:GLU262 2.1 25.7 1.0
N B:DAB197 2.1 32.2 1.0
OE2 A:GLU262 2.1 23.5 1.0
NE2 A:HIS223 2.2 24.7 1.0
NE2 A:HIS227 2.2 21.9 1.0
C B:DAB197 2.2 32.3 1.0
CD A:GLU262 2.3 26.1 1.0
CA B:DAB197 2.4 31.7 1.0
CD2 A:HIS223 3.1 23.3 1.0
CD2 A:HIS227 3.1 22.1 1.0
CE1 A:HIS223 3.2 20.5 1.0
CE1 A:HIS227 3.2 22.0 1.0
CB B:DAB197 3.5 36.9 1.0
N B:ARG198 3.6 35.1 1.0
CG A:GLU262 3.9 25.0 1.0
OH A:TYR366 4.1 22.5 1.0
OE2 A:GLU224 4.1 21.6 1.0
ND1 A:HIS223 4.3 22.1 1.0
CG A:HIS223 4.3 22.0 1.0
ND1 A:HIS227 4.3 21.6 1.0
CG A:HIS227 4.3 20.4 1.0
CE1 A:TYR366 4.3 24.0 1.0
O B:HOH302 4.4 25.4 1.0
O A:HOH761 4.4 25.6 1.0
CZ A:TYR366 4.5 22.5 1.0
CG B:DAB197 4.6 37.0 1.0
CB A:GLU262 4.7 23.8 1.0
CG2 A:THR265 4.8 16.9 1.0
CD A:GLU224 4.9 23.8 1.0
CA B:ARG198 4.9 36.4 1.0

Reference:

D.Kumaran, S.Swaminathan. Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Novel Cyclic Peptide Inhibitor To Be Published.
Page generated: Wed Dec 16 05:59:23 2020

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