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Zinc in PDB 4pkt: Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13

Enzymatic activity of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13

All present enzymatic activity of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13:
3.4.24.83;

Protein crystallography data

The structure of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13, PDB code: 4pkt was solved by K.M.Maize, T.De La Mora, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.36 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.530, 76.807, 139.334, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 24

Other elements in 4pkt:

The structure of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13 (pdb code 4pkt). 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 Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13, PDB code: 4pkt:

Zinc binding site 1 out of 1 in 4pkt

Go back to Zinc Binding Sites List in 4pkt
Zinc binding site 1 out of 1 in the Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 13 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn802

b:35.6
occ:1.00
 NE2 A:HIS690 2.0 28.5 1.0
OE1 A:GLU735 2.1 34.5 1.0
NE2 A:HIS686 2.3 29.4 1.0
O5 A:30O801 2.3 34.4 1.0
O3 A:30O801 2.3 40.3 1.0
CD A:GLU735 2.9 30.9 1.0
CE1 A:HIS690 3.0 30.3 1.0
CD2 A:HIS690 3.1 28.2 1.0
CE1 A:HIS686 3.1 34.5 1.0
OE2 A:GLU735 3.1 39.0 1.0
N4 A:30O801 3.1 44.6 1.0
C2 A:30O801 3.1 44.8 1.0
CD2 A:HIS686 3.4 35.2 1.0
O A:HOH934 3.9 34.0 1.0
ND1 A:HIS690 4.1 28.2 1.0
CG A:HIS690 4.2 28.1 1.0
OE2 A:GLU687 4.2 29.5 1.0
OH A:TYR728 4.2 43.1 1.0
ND1 A:HIS686 4.3 33.1 1.0
CG A:GLU735 4.4 37.4 1.0
CG A:HIS686 4.4 31.7 1.0
CE2 A:TYR728 4.6 44.0 1.0
C1 A:30O801 4.6 44.3 1.0
CB A:ALA738 4.7 29.7 1.0
OE1 A:GLU687 4.9 35.2 1.0
CD A:GLU687 4.9 31.9 1.0
CB A:GLU735 4.9 31.2 1.0
CA A:GLU735 4.9 29.0 1.0
CZ A:TYR728 4.9 45.0 1.0

Reference:

K.M.Maize, E.K.Kurbanov, T.De La Mora-Rey, T.W.Geders, D.J.Hwang, M.A.Walters, R.L.Johnson, E.A.Amin, B.C.Finzel. Anthrax Toxin Lethal Factor Domain 3 Is Highly Mobile and Responsive to Ligand Binding. Acta Crystallogr.,Sect.D V. 70 2813 2014.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004714018161
Page generated: Wed Dec 16 05:40:46 2020

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