Zinc in PDB 6yjy: Crystal Structure of Human Glutaminyl Cyclase in Complex with Neurotensin 1-5

All present enzymatic activity of Crystal Structure of Human Glutaminyl Cyclase in Complex with Neurotensin 1-5:
2.3.2.5;

The structure of Crystal Structure of Human Glutaminyl Cyclase in Complex with Neurotensin 1-5, PDB code: 6yjy was solved by L.M.Funk, V.Sautner, K.Tittmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.99 / 1.67
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	119.274, 119.274, 334.459, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 18.8

The binding sites of Zinc atom in the Crystal Structure of Human Glutaminyl Cyclase in Complex with Neurotensin 1-5 (pdb code 6yjy). 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 Neurotensin 1-5, PDB code: 6yjy:
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 Neurotensin 1-5


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 Neurotensin 1-5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn410 b:29.9 occ:0.74 OE2 A:GLU202 1.9 34.0 1.0 OE A:PCA411 1.9 41.7 0.7 OD2 A:ASP159 2.0 29.0 1.0 NE2 A:HIS330 2.1 32.3 1.0 O A:HOH597 2.5 43.7 0.3 CD A:GLU202 2.7 31.4 1.0 CG A:ASP159 2.8 28.5 1.0 OD1 A:ASP159 2.8 29.3 1.0 OE1 A:GLU202 2.9 30.2 1.0 CD2 A:HIS330 3.0 30.9 1.0 CE1 A:HIS330 3.1 32.6 1.0 CD A:PCA411 3.1 54.0 0.7 O A:HOH536 3.9 28.6 1.0 N A:PCA411 4.0 64.3 0.7 NE1 A:TRP329 4.1 27.9 1.0 CG A:HIS330 4.2 29.9 1.0 CG A:GLU202 4.2 27.7 1.0 ND1 A:HIS330 4.2 31.6 1.0 CB A:ASP159 4.2 27.3 1.0 CG A:PCA411 4.3 58.0 0.7 OE1 A:GLU201 4.4 32.0 1.0 O A:HOH605 4.5 27.9 1.0 CD2 A:LEU249 4.6 27.9 1.0 CD1 A:TRP329 4.7 31.4 1.0 NE2 A:HIS140 4.7 28.2 1.0 CE2 A:TRP329 4.8 28.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human Glutaminyl Cyclase in Complex with Neurotensin 1-5


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 Neurotensin 1-5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn410 b:30.7 occ:0.61 OE2 B:GLU202 1.9 35.7 1.0 OE1 B:GLN411 1.9 36.3 0.4 OE B:PCA414 2.0 37.2 0.2 OD2 B:ASP159 2.0 36.8 1.0 NE2 B:HIS330 2.0 38.2 1.0 CD B:GLU202 2.7 33.0 1.0 CG B:ASP159 2.8 35.0 1.0 OE1 B:GLU202 2.9 33.0 1.0 CD2 B:HIS330 2.9 34.6 1.0 OD1 B:ASP159 3.0 31.0 1.0 CD B:GLN411 3.0 40.1 0.4 CE1 B:HIS330 3.1 36.6 1.0 CD B:PCA414 3.2 44.0 0.2 NE2 B:GLN411 3.5 33.5 0.4 O B:HOH525 3.9 30.4 1.0 NE1 B:TRP329 4.0 36.7 1.0 N B:PCA414 4.0 49.4 0.2 CG B:HIS330 4.1 35.8 1.0 CG B:GLU202 4.1 28.0 1.0 ND1 B:HIS330 4.2 36.9 1.0 N B:GLN411 4.2 50.4 0.4 CB B:ASP159 4.2 29.6 1.0 CG B:PCA414 4.3 45.1 0.2 CG B:GLN411 4.3 45.4 0.4 OE1 B:GLU201 4.5 37.4 1.0 O B:HOH552 4.6 32.0 1.0 CD1 B:TRP329 4.7 36.0 1.0 CE2 B:TRP329 4.7 37.6 1.0 CD2 B:LEU249 4.8 32.2 1.0 NE2 B:HIS140 4.8 30.9 1.0 CD B:LYS144 4.9 32.9 1.0 CZ2 B:TRP329 5.0 40.6 1.0

O.Kupski, L.M.Funk, V.Sautner, F.Seifert, B.Worbs, D.Ramsbeck, F.Meyer, U.Diederichsen, M.Buchholz, S.Schilling, H.U.Demuth, K.Tittmann. Hydrazides Are Potent Transition-State Analogues For Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer'S Disease. Biochemistry V. 59 2585 2020.
ISSN: ISSN 0006-2960
PubMed: 32551535
DOI: 10.1021/ACS.BIOCHEM.0C00337