Atomistry » Zinc » PDB 4ggg-4gsk » 4gsc
Atomistry »
  Zinc »
    PDB 4ggg-4gsk »
      4gsc »

Zinc in PDB 4gsc: Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester)

Enzymatic activity of Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester)

All present enzymatic activity of Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester):
3.4.24.56;

Protein crystallography data

The structure of Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester), PDB code: 4gsc was solved by Q.Guo, R.Deprez-Poulain, B.Deprez, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.85 / 2.81
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 263.759, 263.759, 91.260, 90.00, 90.00, 120.00
R / Rfree (%) 19.5 / 25.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester) (pdb code 4gsc). 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 Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester), PDB code: 4gsc:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4gsc

Go back to Zinc Binding Sites List in 4gsc
Zinc binding site 1 out of 2 in the Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1101

b:2.0
occ:1.00
 OE1 A:GLU189 1.7 3.8 1.0
NE2 A:HIS108 2.0 23.1 1.0
NE2 A:HIS112 2.4 39.5 1.0
CD A:GLU189 2.5 20.7 1.0
OE2 A:GLU189 2.8 20.4 1.0
CD2 A:HIS108 2.9 31.4 1.0
CE1 A:HIS108 3.1 27.6 1.0
CE1 A:HIS112 3.4 41.0 1.0
CD2 A:HIS112 3.4 39.8 1.0
OE1 A:GLN111 3.6 41.8 1.0
OH A:TYR831 3.8 42.8 1.0
CG A:GLU189 3.9 28.0 1.0
CG A:HIS108 4.1 31.1 1.0
ND1 A:HIS108 4.1 28.9 1.0
CD A:GLN111 4.4 39.8 1.0
ND1 A:HIS112 4.5 40.3 1.0
NE2 A:GLN111 4.5 39.5 1.0
CG A:HIS112 4.5 37.9 1.0
CE1 A:TYR831 4.6 41.4 1.0
CZ A:TYR831 4.7 41.8 1.0
O A:ALA140 4.9 30.9 1.0

Zinc binding site 2 out of 2 in 4gsc

Go back to Zinc Binding Sites List in 4gsc
Zinc binding site 2 out of 2 in the Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure Analysis of Insulin Degrading Enzyme with Compound BDM41559 ((S)-2-[2-(Carboxymethyl-Phenethyl-Amino)-Acetylamino]-3-(1H- Imidazol-4-Yl)-Propionic Acid Methyl Ester) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1101

b:2.0
occ:1.00
 OE2 B:GLU189 1.8 34.0 1.0
OE1 B:GLU189 1.9 20.1 1.0
NE2 B:HIS112 1.9 36.7 1.0
NE2 B:HIS108 2.0 27.2 1.0
CD B:GLU189 2.2 32.2 1.0
CE1 B:HIS112 2.6 41.3 1.0
CE1 B:HIS108 2.9 31.7 1.0
CD2 B:HIS112 3.1 39.9 1.0
CD2 B:HIS108 3.1 34.7 1.0
OH B:TYR831 3.7 58.9 1.0
ND1 B:HIS112 3.7 39.9 1.0
OE1 B:GLN111 3.7 42.3 1.0
CG B:GLU189 3.8 35.9 1.0
CG B:HIS112 4.0 40.7 1.0
ND1 B:HIS108 4.0 33.7 1.0
CG B:HIS108 4.2 33.8 1.0
CE1 B:TYR831 4.3 56.4 1.0
CZ B:TYR831 4.3 57.4 1.0
NE2 B:GLN111 4.4 42.1 1.0
CD B:GLN111 4.4 39.9 1.0
CB B:GLU189 4.9 39.8 1.0

Reference:

J.Charton, M.Gauriot, Q.Guo, N.Hennuyer, X.Marechal, J.Dumont, M.Hamdane, V.Pottiez, V.Landry, O.Sperandio, M.Flipo, L.Buee, B.Staels, F.Leroux, W.J.Tang, B.Deprez, R.Deprez-Poulain. Imidazole-Derived 2-[N-Carbamoylmethyl-Alkylamino]Acetic Acids, Substrate-Dependent Modulators of Insulin-Degrading Enzyme in Amyloid-Beta Hydrolysis. Eur.J.Med.Chem. V. 79 184 2014.
ISSN: ISSN 0223-5234
PubMed: 24735644
DOI: 10.1016/J.EJMECH.2014.04.009
Page generated: Sat Oct 26 23:29:01 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy