Zinc in PDB 4pkw: Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor GM6001

All present enzymatic activity of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor GM6001:
3.4.24.83;

The structure of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor GM6001, PDB code: 4pkw 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)	41.38 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.427, 82.420, 130.550, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.7

The binding sites of Zinc atom in the Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor GM6001 (pdb code 4pkw). 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 GM6001, PDB code: 4pkw:

Zinc binding site 1 out of 1 in the Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor GM6001


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 GM6001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:17.4 occ:1.00 OE1 A:GLU735 2.0 15.0 1.0 NE2 A:HIS690 2.1 14.4 1.0 OAG A:GM6802 2.1 17.6 1.0 NE2 A:HIS686 2.1 14.4 1.0 OAE A:GM6802 2.1 19.1 1.0 CAD A:GM6802 2.8 20.7 1.0 NAF A:GM6802 2.8 20.2 1.0 CD A:GLU735 2.8 16.0 1.0 OE2 A:GLU735 3.0 21.4 1.0 CD2 A:HIS690 3.0 15.9 1.0 CD2 A:HIS686 3.0 15.7 1.0 CE1 A:HIS690 3.1 17.3 1.0 CE1 A:HIS686 3.1 14.3 1.0 O3 A:GOL804 4.0 20.7 1.0 OE2 A:GLU687 4.1 17.6 1.0 ND1 A:HIS690 4.2 14.0 1.0 CG A:HIS690 4.2 13.1 1.0 ND1 A:HIS686 4.2 16.3 1.0 CG A:HIS686 4.2 15.3 1.0 C2 A:GOL804 4.2 27.3 1.0 CAC A:GM6802 4.2 17.4 0.5 CAC A:GM6802 4.2 17.4 0.5 OH A:TYR728 4.3 19.3 1.0 CG A:GLU735 4.3 15.3 1.0 C3 A:GOL804 4.3 28.9 1.0 CE2 A:TYR728 4.4 16.6 1.0 CB A:ALA738 4.6 12.2 1.0 OE1 A:GLU687 4.6 19.6 1.0 CAA A:GM6802 4.6 19.2 0.5 CD A:GLU687 4.7 18.7 1.0 CAB A:GM6802 4.7 19.1 0.5 CA A:GLU735 4.8 14.8 1.0 CAB A:GM6802 4.8 19.1 0.5 CB A:GLU735 4.8 14.3 1.0 CAA A:GM6802 4.8 19.3 0.5 CZ A:TYR728 4.8 19.8 1.0 C1 A:GOL804 4.9 26.4 1.0

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