Zinc in PDB 2afx: Crystal Structure of Human Glutaminyl Cyclase in Complex with 1- Benzylimidazole

All present enzymatic activity of Crystal Structure of Human Glutaminyl Cyclase in Complex with 1- Benzylimidazole:
2.3.2.5;

The structure of Crystal Structure of Human Glutaminyl Cyclase in Complex with 1- Benzylimidazole, PDB code: 2afx was solved by K.F.Huang, Y.L.Liu, W.J.Cheng, T.P.Ko, A.H.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.64
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	119.013, 119.013, 332.821, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 20.5

The binding sites of Zinc atom in the Crystal Structure of Human Glutaminyl Cyclase in Complex with 1- Benzylimidazole (pdb code 2afx). 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 Glutaminyl Cyclase in Complex with 1- Benzylimidazole, PDB code: 2afx:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human Glutaminyl Cyclase in Complex with 1- Benzylimidazole


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 Glutaminyl Cyclase in Complex with 1- Benzylimidazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn996 b:13.7 occ:1.00 N2 A:1BN1501 2.0 14.6 1.0 OE2 A:GLU202 2.0 14.7 1.0 OD2 A:ASP159 2.0 13.1 1.0 NE2 A:HIS330 2.1 11.5 1.0 CD A:GLU202 2.7 14.2 1.0 CG A:ASP159 2.8 14.6 1.0 OD1 A:ASP159 2.8 14.4 1.0 OE1 A:GLU202 2.8 13.5 1.0 CD2 A:HIS330 3.0 13.8 1.0 C2 A:1BN1501 3.0 17.0 1.0 C3 A:1BN1501 3.0 17.3 1.0 CE1 A:HIS330 3.1 13.2 1.0 NE1 A:TRP329 3.9 14.3 1.0 O A:HOH541 4.0 12.8 1.0 N1 A:1BN1501 4.1 17.8 1.0 C1 A:1BN1501 4.1 18.8 1.0 CG A:HIS330 4.2 11.9 1.0 CG A:GLU202 4.2 13.3 1.0 ND1 A:HIS330 4.2 13.0 1.0 CB A:ASP159 4.2 12.7 1.0 OE1 A:GLU201 4.4 15.5 1.0 O A:HOH537 4.6 15.6 1.0 CD1 A:TRP329 4.6 15.7 1.0 NE2 A:HIS140 4.7 12.3 1.0 CD2 A:LEU249 4.7 12.2 1.0 CE2 A:TRP329 4.7 14.1 1.0 CE1 A:HIS140 5.0 12.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Glutaminyl Cyclase in Complex with 1- Benzylimidazole


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 Glutaminyl Cyclase in Complex with 1- Benzylimidazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn997 b:12.3 occ:1.00 OE2 B:GLU202 2.0 13.1 1.0 OD2 B:ASP159 2.0 11.3 1.0 N2 B:1BN2501 2.0 9.8 1.0 NE2 B:HIS330 2.0 13.8 1.0 CD B:GLU202 2.7 11.4 1.0 OE1 B:GLU202 2.8 11.6 1.0 CG B:ASP159 2.8 12.0 1.0 OD1 B:ASP159 2.9 11.8 1.0 CD2 B:HIS330 3.0 12.4 1.0 C3 B:1BN2501 3.0 14.4 1.0 C2 B:1BN2501 3.1 12.2 1.0 CE1 B:HIS330 3.1 12.0 1.0 NE1 B:TRP329 3.8 13.0 1.0 O B:HOH469 4.0 10.0 1.0 N1 B:1BN2501 4.1 13.7 1.0 CG B:HIS330 4.1 13.3 1.0 CG B:GLU202 4.2 10.7 1.0 ND1 B:HIS330 4.2 11.7 1.0 C1 B:1BN2501 4.2 13.6 1.0 CB B:ASP159 4.2 11.0 1.0 CE2 B:TRP329 4.5 12.9 1.0 OE1 B:GLU201 4.5 13.8 1.0 O B:HOH465 4.5 12.8 1.0 CD1 B:TRP329 4.6 14.1 1.0 NE2 B:HIS140 4.7 10.9 1.0 CZ2 B:TRP329 4.7 14.4 1.0 CD2 B:LEU249 4.7 11.3 1.0 CE1 B:HIS140 5.0 11.0 1.0 CD B:LYS144 5.0 14.0 1.0

K.F.Huang, Y.L.Liu, W.J.Cheng, T.P.Ko, A.H.Wang. Crystal Structures of Human Glutaminyl Cyclase, An Enzyme Responsible For Protein N-Terminal Pyroglutamate Formation Proc.Natl.Acad.Sci.Usa V. 102 13117 2005.
ISSN: ISSN 0027-8424
PubMed: 16135565
DOI: 10.1073/PNAS.0504184102