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Zinc in PDB 3c8a: Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with Inhibitory Peptide Rrgl

Enzymatic activity of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with Inhibitory Peptide Rrgl

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with Inhibitory Peptide Rrgl:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with Inhibitory Peptide Rrgl, PDB code: 3c8a 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) 32.33 / 1.52
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.723, 66.368, 64.836, 90.00, 98.31, 90.00
R / Rfree (%) 19.2 / 20.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with Inhibitory Peptide Rrgl (pdb code 3c8a). 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 Inhibitory Peptide Rrgl, PDB code: 3c8a:

Zinc binding site 1 out of 1 in 3c8a

Go back to Zinc Binding Sites List in 3c8a
Zinc binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with Inhibitory Peptide Rrgl


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 Inhibitory Peptide Rrgl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn450

b:12.1
occ:1.00
 OE1 A:GLU262 2.1 12.6 1.0
NE2 A:HIS223 2.1 9.4 1.0
N B:ARG500 2.1 11.4 1.0
NE2 A:HIS227 2.1 10.4 1.0
O B:ARG500 2.3 12.5 1.0
OE2 A:GLU262 2.4 14.7 1.0
CD A:GLU262 2.5 12.2 1.0
C B:ARG500 3.0 12.0 1.0
CA B:ARG500 3.0 11.0 1.0
CD2 A:HIS223 3.0 9.9 1.0
CD2 A:HIS227 3.0 11.0 1.0
CE1 A:HIS223 3.1 11.0 1.0
CE1 A:HIS227 3.2 10.5 1.0
CB B:ARG500 3.7 12.4 1.0
CG A:GLU262 4.0 12.0 1.0
OH A:TYR366 4.1 12.1 1.0
OE2 A:GLU224 4.2 13.5 1.0
ND1 A:HIS223 4.2 9.6 1.0
CG A:HIS223 4.2 8.9 1.0
N B:ARG501 4.2 12.2 1.0
CG A:HIS227 4.2 10.4 1.0
ND1 A:HIS227 4.3 10.4 1.0
O A:HOH624 4.3 28.2 1.0
CE1 A:TYR366 4.4 10.7 1.0
O A:HOH471 4.5 13.6 1.0
CG B:ARG500 4.6 16.4 1.0
CZ A:TYR366 4.6 11.2 1.0
CB A:GLU262 4.8 11.2 1.0
CD A:GLU224 4.9 12.2 1.0
CA A:GLU262 4.9 9.8 1.0
CG2 A:THR265 4.9 8.7 1.0
OE1 A:GLU224 5.0 10.0 1.0
CA B:ARG501 5.0 14.1 1.0

Reference:

D.Kumaran, R.Rawat, M.L.Ludivico, S.A.Ahmed, S.Swaminathan. Structure- and Substrate-Based Inhibitor Design For Clostridium Botulinum Neurotoxin Serotype A J.Biol.Chem. V. 283 18883 2008.
ISSN: ISSN 0021-9258
PubMed: 18434312
DOI: 10.1074/JBC.M801240200
Page generated: Wed Dec 16 04:10:18 2020

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