Zinc in PDB 4f9u: Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster

All present enzymatic activity of Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster:
2.3.2.5;

The structure of Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster, PDB code: 4f9u was solved by P.Kolenko, B.Koch, D.Ruiz-Carilo, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.90 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.665, 56.964, 95.669, 90.00, 108.16, 90.00
R / Rfree (%)	17 / 22.5

The binding sites of Zinc atom in the Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster (pdb code 4f9u). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster, PDB code: 4f9u:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:16.3 occ:1.00 OE1 A:GLU171 1.9 14.5 1.0 NE2 A:HIS297 1.9 15.3 1.0 OD2 A:ASP131 2.1 15.5 1.0 NAM A:PBD402 2.1 17.1 1.0 CD A:GLU171 2.7 13.6 1.0 OE2 A:GLU171 2.8 13.8 1.0 CG A:ASP131 2.8 15.2 1.0 CD2 A:HIS297 2.9 15.4 1.0 CE1 A:HIS297 2.9 15.5 1.0 CAH A:PBD402 3.0 17.5 1.0 OD1 A:ASP131 3.0 16.4 1.0 CAD A:PBD402 3.1 18.0 1.0 NE1 A:TRP296 3.8 18.1 1.0 O A:HOH1074 4.0 15.4 1.0 ND1 A:HIS297 4.0 15.6 1.0 CG A:HIS297 4.1 16.4 1.0 CG A:GLU171 4.1 13.6 1.0 NAV A:PBD402 4.1 19.4 1.0 CAG A:PBD402 4.2 18.7 1.0 CB A:ASP131 4.3 14.8 1.0 OE1 A:GLU170 4.4 17.0 1.0 CD1 A:TRP296 4.4 18.5 1.0 CE2 A:TRP296 4.5 18.1 1.0 O A:HOH1042 4.6 16.0 1.0 NE2 A:HIS114 4.8 14.5 1.0 CD A:LYS118 4.8 15.0 1.0 CZ2 A:TRP296 4.9 18.6 1.0 CB A:LYS118 5.0 15.3 1.0

Zinc binding site 2 out of 2 in the Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Glycosylated Glutaminyl Cyclase From Drosophila Melanogaster within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:14.7 occ:1.00 OD2 B:ASP131 1.8 15.4 1.0 OE1 B:GLU171 2.0 13.1 1.0 NAM B:PBD402 2.1 15.8 1.0 NE2 B:HIS297 2.1 15.5 1.0 CG B:ASP131 2.7 15.5 1.0 CD B:GLU171 2.8 13.0 1.0 OE2 B:GLU171 2.9 13.2 1.0 CD2 B:HIS297 2.9 14.9 1.0 OD1 B:ASP131 3.0 15.1 1.0 CAD B:PBD402 3.0 16.1 1.0 CAH B:PBD402 3.1 16.0 1.0 CE1 B:HIS297 3.2 16.8 1.0 NE1 B:TRP296 3.7 17.1 1.0 O B:HOH522 3.9 14.9 1.0 CB B:ASP131 4.1 14.9 1.0 CAG B:PBD402 4.2 16.7 1.0 CG B:HIS297 4.2 15.8 1.0 CG B:GLU171 4.2 13.4 1.0 NAV B:PBD402 4.2 17.1 1.0 ND1 B:HIS297 4.3 15.7 1.0 CD1 B:TRP296 4.4 16.6 1.0 OE1 B:GLU170 4.4 14.9 1.0 CE2 B:TRP296 4.4 16.4 1.0 O B:HOH539 4.5 14.6 1.0 NE2 B:HIS114 4.6 12.3 1.0 CZ2 B:TRP296 4.7 17.3 1.0 O B:ASP131 4.8 15.3 1.0 CD B:LYS118 4.8 14.4 1.0 CE1 B:HIS114 4.9 12.4 1.0 CD2 B:LEU219 5.0 13.6 1.0

B.Koch, P.Kolenko, M.Buchholz, D.Ruiz Carrillo, C.Parthier, M.Wermann, J.U.Rahfeld, G.Reuter, S.Schilling, M.T.Stubbs, H.U.Demuth. Crystal Structures of Glutaminyl Cyclases (Qcs) From Drosophila Melanogaster Reveal Active Site Conservation Between Insect and Mammalian Qcs. Biochemistry V. 51 7383 2012.
ISSN: ISSN 0006-2960
PubMed: 22897232
DOI: 10.1021/BI300687G