Atomistry » Zinc » PDB 4pa5-4ppe » 4pes
Atomistry »
  Zinc »
    PDB 4pa5-4ppe »
      4pes »

Zinc in PDB 4pes: Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate

Enzymatic activity of Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate

All present enzymatic activity of Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate:
3.4.24.56;

Protein crystallography data

The structure of Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate, PDB code: 4pes was solved by Y.Wang, S.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 122.69 / 2.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 78.754, 116.087, 123.923, 90.00, 98.09, 90.00
R / Rfree (%) 20.9 / 25.6

Other elements in 4pes:

The structure of Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate (pdb code 4pes). 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 Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate, PDB code: 4pes:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4pes

Go back to Zinc Binding Sites List in 4pes
Zinc binding site 1 out of 2 in the Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate


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 Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1102

b:76.3
occ:1.00
 NE2 A:HIS108 2.2 44.7 1.0
NE2 A:HIS112 2.2 60.5 1.0
OE2 A:GLU189 2.4 63.3 1.0
OE1 A:GLU189 2.5 59.1 1.0
O A:HOH1370 2.8 59.6 1.0
CD A:GLU189 2.8 59.0 1.0
CD2 A:HIS108 3.2 44.1 1.0
CE1 A:HIS108 3.2 42.1 1.0
CD2 A:HIS112 3.2 57.8 1.0
CE1 A:HIS112 3.2 56.6 1.0
O A:HOH1349 4.0 53.1 1.0
ND1 A:HIS108 4.3 42.4 1.0
CG A:HIS108 4.3 42.0 1.0
CG A:GLU189 4.3 58.0 1.0
ND1 A:HIS112 4.4 54.5 1.0
CG A:HIS112 4.4 56.9 1.0
OE1 A:GLN111 4.4 54.7 1.0
NE2 A:GLN111 4.7 44.0 1.0
CG2 A:VAL186 4.7 48.1 1.0
CD A:GLN111 4.9 50.4 1.0

Zinc binding site 2 out of 2 in 4pes

Go back to Zinc Binding Sites List in 4pes
Zinc binding site 2 out of 2 in the Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate


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 Insulin Degrading Enzyme Complexed with Inhibitor Tert-Butyl [(2S)-2-(2,5-Difluorophenyl)-3-(Quinolin-3-Yl) Propyl]Carbamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1102

b:88.1
occ:1.00
 OE2 B:GLU189 2.0 63.1 1.0
NE2 B:HIS112 2.2 59.9 1.0
NE2 B:HIS108 2.3 40.5 1.0
CD B:GLU189 2.8 69.7 1.0
OE1 B:GLU189 2.9 81.8 1.0
CE1 B:HIS112 3.1 57.0 1.0
CE1 B:HIS108 3.1 38.6 1.0
CD2 B:HIS108 3.3 41.7 1.0
CD2 B:HIS112 3.3 55.3 1.0
OE1 B:GLN111 3.9 55.1 1.0
CG B:GLU189 4.2 64.5 1.0
ND1 B:HIS108 4.3 41.3 1.0
ND1 B:HIS112 4.3 59.0 1.0
CG B:HIS108 4.4 40.0 1.0
CG B:HIS112 4.4 56.1 1.0
NE2 B:GLN111 4.5 62.3 1.0
CD B:GLN111 4.6 57.9 1.0
O B:HOH1234 4.6 48.8 1.0

Reference:

T.B.Durham, J.L.Toth, V.J.Klimkowski, J.X.C.Cao, A.M.Siesky, J.Alexander-Chacko, G.Y.Wu, J.T.Dixon, J.E.Mcgee, Y.Wang, S.Guo, R.N.Cavitt, J.Schindler, S.J.Thibodeaux, N.A.Calvert, M.J.Coghlan, D.K.Sindelar, M.Christe, V.V.Kiselyov, M.Dodson, K.W.Sloop. Crystal Structure of Ide Complexed with An Inhibitor To Be Published.
Page generated: Sun Oct 27 05:51:23 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy