Zinc in PDB 4mhy: Crystal Structure of A Glutaminyl Cyclase From Ixodes Scapularis in Complex with PBD150

All present enzymatic activity of Crystal Structure of A Glutaminyl Cyclase From Ixodes Scapularis in Complex with PBD150:
2.3.2.5;

The structure of Crystal Structure of A Glutaminyl Cyclase From Ixodes Scapularis in Complex with PBD150, PDB code: 4mhy was solved by K.F.Huang, H.L.Hsu, A.H.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.977, 71.075, 80.065, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.4

The binding sites of Zinc atom in the Crystal Structure of A Glutaminyl Cyclase From Ixodes Scapularis in Complex with PBD150 (pdb code 4mhy). 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 A Glutaminyl Cyclase From Ixodes Scapularis in Complex with PBD150, PDB code: 4mhy:

Zinc binding site 1 out of 1 in the Crystal Structure of A Glutaminyl Cyclase From Ixodes Scapularis in Complex with PBD150


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 Glutaminyl Cyclase From Ixodes Scapularis in Complex with PBD150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:12.2 occ:1.00 OE2 A:GLU184 1.9 9.9 1.0 OD2 A:ASP144 2.0 8.6 1.0 NAM A:PBD401 2.0 12.3 1.0 NE2 A:HIS322 2.0 10.3 1.0 CG A:ASP144 2.8 8.9 1.0 CD A:GLU184 2.8 10.2 1.0 OD1 A:ASP144 2.8 9.0 1.0 CD2 A:HIS322 2.9 10.3 1.0 OE1 A:GLU184 2.9 11.9 1.0 CAH A:PBD401 3.0 15.4 1.0 CAD A:PBD401 3.0 15.6 1.0 CE1 A:HIS322 3.1 9.8 1.0 NE1 A:TRP321 3.9 8.4 1.0 O A:HOH541 3.9 9.2 1.0 NAV A:PBD401 4.1 15.1 1.0 CG A:HIS322 4.1 9.9 1.0 CAG A:PBD401 4.2 15.7 1.0 CG A:GLU184 4.2 10.2 1.0 ND1 A:HIS322 4.2 10.6 1.0 CB A:ASP144 4.2 9.0 1.0 OE1 A:GLU183 4.4 14.6 1.0 CE2 A:TRP321 4.5 8.5 1.0 O A:HOH518 4.6 9.6 1.0 NE2 A:HIS128 4.6 8.7 1.0 CD1 A:TRP321 4.7 8.6 1.0 CD2 A:LEU239 4.7 8.7 1.0 CZ2 A:TRP321 4.7 9.5 1.0 CE1 A:HIS128 4.9 8.5 1.0

K.F.Huang, H.L.Hsu, S.Karim, A.H.J.Wang. Structural and Functional Analyses of A Glutaminyl Cyclase From Ixodes Scapularis Reveal Metal-Independent Catalysis and Inhibitor Binding. Acta Crystallogr.,Sect.D V. 70 789 2014.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004713033488