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Zinc in PDB 2w2d: Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A

Enzymatic activity of Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A

All present enzymatic activity of Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A, PDB code: 2w2d was solved by G.Masuyer, N.Thiyagarajan, P.L.James, P.M.H.Marks, J.A.Chaddock, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.11 / 2.59
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.365, 156.909, 211.651, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 25.3

Other elements in 2w2d:

The structure of Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A (pdb code 2w2d). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A, PDB code: 2w2d:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2w2d

Go back to Zinc Binding Sites List in 2w2d
Zinc binding site 1 out of 2 in the Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A


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 Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1434

b:23.7
occ:1.00
OE1 A:GLU262 2.1 31.9 1.0
NE2 A:HIS223 2.3 20.2 1.0
NE2 A:HIS227 2.3 20.0 1.0
O A:HOH2108 2.4 25.1 1.0
O A:HOH2109 2.5 40.0 1.0
OE2 A:GLU262 2.6 31.3 1.0
CD A:GLU262 2.7 31.1 1.0
CD2 A:HIS227 3.0 20.4 1.0
CD2 A:HIS223 3.2 18.0 1.0
CE1 A:HIS223 3.3 19.8 1.0
CE1 A:HIS227 3.4 21.9 1.0
CG A:GLU262 4.2 30.2 1.0
CG A:HIS227 4.3 20.9 1.0
ND1 A:HIS223 4.4 19.4 1.0
CG A:HIS223 4.4 19.2 1.0
OE2 A:GLU224 4.4 24.5 1.0
ND1 A:HIS227 4.4 22.3 1.0
OH A:TYR366 4.5 41.1 1.0
CE1 A:TYR366 4.6 37.4 1.0
O A:HOH2039 4.6 35.8 1.0
CG2 A:THR265 4.9 24.3 1.0
OE1 A:GLU224 4.9 23.6 1.0
CZ A:TYR366 5.0 36.9 1.0

Zinc binding site 2 out of 2 in 2w2d

Go back to Zinc Binding Sites List in 2w2d
Zinc binding site 2 out of 2 in the Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn1438

b:29.9
occ:1.00
OE1 C:GLU262 2.1 29.6 1.0
NE2 C:HIS223 2.3 17.6 1.0
NE2 C:HIS227 2.3 17.4 1.0
O C:HOH2118 2.3 9.9 1.0
CD C:GLU262 2.7 26.3 1.0
OE2 C:GLU262 2.8 24.2 1.0
CD2 C:HIS227 3.0 17.8 1.0
CD2 C:HIS223 3.1 15.1 1.0
CE1 C:HIS223 3.4 15.6 1.0
CE1 C:HIS227 3.4 17.0 1.0
CG C:GLU262 4.1 24.1 1.0
OH C:TYR366 4.1 35.5 1.0
OE2 C:GLU224 4.1 26.3 1.0
CG C:HIS227 4.3 19.3 1.0
CG C:HIS223 4.3 17.3 1.0
O C:HOH2051 4.4 24.9 1.0
ND1 C:HIS223 4.4 16.3 1.0
ND1 C:HIS227 4.4 18.8 1.0
CE1 C:TYR366 4.6 33.2 1.0
CG2 C:THR265 4.8 14.2 1.0
CZ C:TYR366 4.8 33.1 1.0
CD C:GLU224 5.0 22.8 1.0

Reference:

G.Masuyer, N.Thiyagarajan, P.L.James, P.M.H.Marks, J.A.Chaddock, K.R.Acharya. Crystal Structure of A Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A. Biochem.Biophys.Res.Commun. V. 381 50 2009.
ISSN: ISSN 0006-291X
PubMed: 19351593
DOI: 10.1016/J.BBRC.2009.02.003
Page generated: Wed Dec 16 03:56:52 2020

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