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Zinc in PDB 3k3q: Crystal Structure of A Llama Antibody Complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain

Enzymatic activity of Crystal Structure of A Llama Antibody Complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain

All present enzymatic activity of Crystal Structure of A Llama Antibody Complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of A Llama Antibody Complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain, PDB code: 3k3q was solved by A.A.Thompson, J.Dong, J.D.Marks, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 168.282, 48.764, 103.643, 90.00, 116.75, 90.00
R / Rfree (%) 21.8 / 25.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of A Llama Antibody Complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain (pdb code 3k3q). 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 A Llama Antibody Complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain, PDB code: 3k3q:

Zinc binding site 1 out of 1 in 3k3q

Go back to Zinc Binding Sites List in 3k3q
Zinc binding site 1 out of 1 in the Crystal Structure of A Llama Antibody Complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain


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 A Llama Antibody Complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn251

b:19.5
occ:1.00
 OE1 C:GLU262 1.9 16.8 1.0
NE2 B:HIS223 2.0 14.6 1.0
NE2 B:HIS227 2.1 14.7 1.0
CD C:GLU262 2.4 18.8 1.0
OE2 C:GLU262 2.4 19.6 1.0
CD2 B:HIS223 2.9 13.8 1.0
CD2 B:HIS227 3.0 11.9 1.0
CE1 B:HIS223 3.1 12.8 1.0
CE1 B:HIS227 3.2 10.3 1.0
CG C:GLU262 3.9 20.2 1.0
CG B:HIS223 4.1 15.0 1.0
ND1 B:HIS223 4.1 14.1 1.0
CG B:HIS227 4.2 13.9 1.0
O C:HOH61 4.2 22.9 1.0
ND1 B:HIS227 4.2 14.6 1.0
CG2 C:THR265 4.7 20.6 1.0
CA C:GLU262 4.9 20.4 1.0
CB C:GLU262 4.9 18.6 1.0
CB C:THR265 5.0 19.4 1.0

Reference:

J.Dong, A.A.Thompson, Y.Fan, J.Lou, F.Conrad, M.Ho, M.Pires-Alves, B.A.Wilson, R.C.Stevens, J.D.Marks. A Single-Domain Llama Antibody Potently Inhibits the Enzymatic Activity of Botulinum Neurotoxin By Binding to the Non-Catalytic Alpha-Exosite Binding Region. J.Mol.Biol. V. 397 1106 2010.
ISSN: ISSN 0022-2836
PubMed: 20138889
DOI: 10.1016/J.JMB.2010.01.070
Page generated: Wed Dec 16 04:29:30 2020

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