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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

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