Zinc in PDB 3pbb: Crystal Structure of Human Secretory Glutaminyl Cyclase in Complex with PBD150

All present enzymatic activity of Crystal Structure of Human Secretory Glutaminyl Cyclase in Complex with PBD150:
2.3.2.5;

The structure of Crystal Structure of Human Secretory Glutaminyl Cyclase in Complex with PBD150, PDB code: 3pbb was solved by K.F.Huang, S.S.Liaw, W.L.Huang, C.Y.Chia, Y.C.Lo, Y.L.Chen, 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 / 1.95
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	155.753, 155.753, 80.516, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 23.9

The binding sites of Zinc atom in the Crystal Structure of Human Secretory Glutaminyl Cyclase in Complex with PBD150 (pdb code 3pbb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Secretory Glutaminyl Cyclase in Complex with PBD150, PDB code: 3pbb:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human Secretory Glutaminyl Cyclase 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 Human Secretory Glutaminyl Cyclase in Complex with PBD150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn391 b:25.1 occ:1.00 OE2 A:GLU202 2.0 23.3 1.0 OD2 A:ASP159 2.1 19.4 1.0 NE2 A:HIS330 2.1 26.5 1.0 NAM A:PBD380 2.1 19.8 1.0 OE1 A:GLU202 2.8 28.7 1.0 CD A:GLU202 2.8 26.1 1.0 CG A:ASP159 2.8 22.6 1.0 OD1 A:ASP159 2.9 21.4 1.0 CD2 A:HIS330 3.0 25.0 1.0 CAH A:PBD380 3.1 20.9 1.0 CAD A:PBD380 3.1 21.1 1.0 CE1 A:HIS330 3.2 23.5 1.0 NE1 A:TRP329 3.8 23.9 1.0 O A:HOH458 4.0 25.4 1.0 NAV A:PBD380 4.2 21.4 1.0 CG A:HIS330 4.2 26.4 1.0 ND1 A:HIS330 4.2 27.3 1.0 CAG A:PBD380 4.2 23.8 1.0 CB A:ASP159 4.3 23.7 1.0 CG A:GLU202 4.3 23.2 1.0 OE1 A:GLU201 4.4 33.3 1.0 CE2 A:TRP329 4.4 26.7 1.0 O A:HOH432 4.4 25.0 1.0 CZ2 A:TRP329 4.6 27.4 1.0 CD1 A:TRP329 4.7 25.9 1.0 CD2 A:LEU249 4.7 23.1 1.0 NE2 A:HIS140 4.9 25.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Secretory Glutaminyl Cyclase in Complex with PBD150


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Secretory Glutaminyl Cyclase in Complex with PBD150 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn392 b:26.5 occ:1.00 OE2 B:GLU202 1.9 26.8 1.0 NAM B:PBD381 2.0 24.4 1.0 OD2 B:ASP159 2.0 22.4 1.0 NE2 B:HIS330 2.1 28.7 1.0 CD B:GLU202 2.7 27.1 1.0 CG B:ASP159 2.7 28.6 1.0 OE1 B:GLU202 2.8 29.1 1.0 OD1 B:ASP159 2.8 27.0 1.0 CAD B:PBD381 2.9 21.8 1.0 CD2 B:HIS330 3.0 28.3 1.0 CAH B:PBD381 3.0 19.6 1.0 CE1 B:HIS330 3.2 24.9 1.0 NE1 B:TRP329 3.8 24.6 1.0 O B:HOH515 4.0 29.9 1.0 NAV B:PBD381 4.1 24.2 1.0 CAG B:PBD381 4.1 22.3 1.0 CG B:GLU202 4.2 25.2 1.0 CB B:ASP159 4.2 30.2 1.0 CG B:HIS330 4.2 27.7 1.0 ND1 B:HIS330 4.2 26.6 1.0 O B:HOH418 4.3 21.9 1.0 OE1 B:GLU201 4.5 30.3 1.0 CE2 B:TRP329 4.5 27.3 1.0 CD1 B:TRP329 4.6 27.0 1.0 CD2 B:LEU249 4.8 22.3 1.0 NE2 B:HIS140 4.8 25.9 1.0 CZ2 B:TRP329 4.8 27.8 1.0

K.F.Huang, S.S.Liaw, W.L.Huang, C.Y.Chia, Y.C.Lo, Y.L.Chen, A.H.J.Wang. Structures of Human Golgi-Resident Glutaminyl Cyclase and Its Complexes with Inhibitors Reveal A Large Loop Movement Upon Inhibitor Binding J.Biol.Chem. V. 286 12439 2011.
ISSN: ISSN 0021-9258
PubMed: 21288892
DOI: 10.1074/JBC.M110.208595