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

Enzymatic activity of 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;

Protein crystallography data

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

Zinc Binding Sites:

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 6yjy

Go back to Zinc Binding Sites List in 6yjy
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 6yjy

Go back to Zinc Binding Sites List in 6yjy
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

Reference:

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
Page generated: Tue Oct 29 15:09:32 2024

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