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Zinc in PDB 3qj0: Crystal Structure of Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3

Enzymatic activity of Crystal Structure of Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3

All present enzymatic activity of Crystal Structure of Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3, PDB code: 3qj0 was solved by A.A.Thompson, G.W.Han, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.85 / 2.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 59.170, 188.918, 42.562, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 22.9

Other elements in 3qj0:

The structure of Crystal Structure of Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3 (pdb code 3qj0). 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 Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3, PDB code: 3qj0:

Zinc binding site 1 out of 1 in 3qj0

Go back to Zinc Binding Sites List in 3qj0
Zinc binding site 1 out of 1 in the Crystal Structure of Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3


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 Bont/A Lc Complexed with Hydroxamate-Based Inhibitor Pt-3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn431

b:48.7
occ:1.00
 NE2 A:HIS227 2.0 50.8 1.0
NE2 A:HIS223 2.0 45.9 1.0
OE1 A:GLU262 2.0 48.0 1.0
O2 A:QI3432 2.0 54.3 1.0
OE2 A:GLU262 2.6 52.1 1.0
O1 A:QI3432 2.6 60.9 1.0
CD A:GLU262 2.6 49.1 1.0
N2 A:QI3432 2.9 60.3 1.0
CD2 A:HIS227 2.9 48.4 1.0
CE1 A:HIS223 2.9 49.3 1.0
CD2 A:HIS223 3.1 41.9 1.0
CE1 A:HIS227 3.1 50.7 1.0
C1 A:QI3432 3.1 62.5 1.0
O A:HOH553 4.1 60.4 1.0
ND1 A:HIS223 4.1 51.6 1.0
CG A:HIS227 4.1 48.5 1.0
ND1 A:HIS227 4.1 50.1 1.0
CG A:GLU262 4.2 50.2 1.0
CG A:HIS223 4.2 41.4 1.0
OE2 A:GLU224 4.2 53.6 1.0
OH A:TYR366 4.2 56.3 1.0
C2 A:QI3432 4.5 63.1 1.0
CE1 A:TYR366 4.6 58.6 1.0
OE1 A:GLU224 4.8 48.0 1.0
CG2 A:THR265 4.8 42.9 1.0
CB A:GLU262 4.8 50.3 1.0
CD A:GLU224 4.8 50.4 1.0
CZ A:TYR366 4.9 58.0 1.0
O3 A:QI3432 4.9 72.2 1.0
CA A:GLU262 5.0 49.8 1.0

Reference:

A.A.Thompson, G.S.Jiao, S.Kim, A.Thai, L.Cregar-Hernandez, S.A.Margosiak, A.T.Johnson, G.W.Han, S.O'malley, R.C.Stevens. Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium Botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals A Compact Binding Site Resulting From 60/70 Loop Flexibility. Biochemistry V. 50 4019 2011.
ISSN: ISSN 0006-2960
PubMed: 21434688
DOI: 10.1021/BI2001483
Page generated: Sat Oct 26 12:07:54 2024

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