Zinc in PDB 3t8v: A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases

The structure of A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases, PDB code: 3t8v was solved by S.Mcgowan, M.Klemba, D.C.Greebaum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.04 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.542, 108.821, 118.274, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.8

The structure of A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Zinc atom in the A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases (pdb code 3t8v). 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 A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases, PDB code: 3t8v:

Zinc binding site 1 out of 1 in the A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1 b:13.9 occ:1.00 NE2 A:HIS496 2.0 14.8 1.0 OE1 A:GLU519 2.0 15.3 1.0 NE2 A:HIS500 2.0 11.9 1.0 O11 A:BTJ1092 2.4 14.4 1.0 CD A:GLU519 2.7 11.1 1.0 OE2 A:GLU519 2.8 11.7 1.0 CD2 A:HIS496 2.9 15.0 1.0 CD2 A:HIS500 3.0 12.1 1.0 CE1 A:HIS496 3.1 14.6 1.0 CE1 A:HIS500 3.1 11.8 1.0 C40 A:BTJ1092 3.2 12.1 1.0 C39 A:BTJ1092 3.3 75.9 1.0 N6 A:BTJ1092 3.4 27.9 1.0 C41 A:BTJ1092 3.7 20.4 1.0 N5 A:BTJ1092 3.7 19.3 1.0 O9 A:BTJ1092 3.8 39.7 1.0 OE1 A:GLU497 4.0 11.8 1.0 CG A:HIS496 4.1 13.3 1.0 CG A:HIS500 4.1 11.5 1.0 ND1 A:HIS496 4.2 15.1 1.0 ND1 A:HIS500 4.2 13.1 1.0 CG A:GLU519 4.2 11.9 1.0 OH A:TYR580 4.3 13.7 1.0 OE1 A:GLU463 4.4 11.3 1.0 CE1 A:TYR580 4.4 13.8 1.0 CZ A:TYR580 4.7 15.1 1.0 C2 A:BTJ1092 4.8 74.9 1.0 OE2 A:GLU463 4.8 13.7 1.0 CG2 A:THR522 4.8 9.6 1.0 CD A:GLU463 4.8 16.2 1.0 OE2 A:GLU497 4.8 9.9 1.0 CD A:GLU497 4.8 11.1 1.0 CA A:GLU519 4.8 9.6 1.0 NZ A:LYS518 4.8 12.3 1.0 CB A:GLU519 4.9 11.1 1.0 CB A:THR522 4.9 10.7 1.0

M.B.Harbut, G.Velmourougane, S.Dalal, G.Reiss, J.C.Whisstock, O.Onder, D.Brisson, S.Mcgowan, M.Klemba, D.C.Greenbaum. Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases Proc.Natl.Acad.Sci.Usa V. 108 E526 2011.
ISSN: ISSN 0027-8424
PubMed: 21844374
DOI: 10.1073/PNAS.1105601108