Fluorine in PDB 7k1d: Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291

Enzymatic activity of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291

All present enzymatic activity of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291:
3.4.24.56;

Protein crystallography data

The structure of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291, PDB code: 7k1d was solved by W.G.Liang, R.Deprez, D.Bosc, W.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.42 / 3.00
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 264.313, 264.313, 90.468, 90, 90, 120
R / Rfree (%) 15.6 / 19.2

Other elements in 7k1d:

The structure of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291 (pdb code 7k1d). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291, PDB code: 7k1d:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7k1d

Go back to Fluorine Binding Sites List in 7k1d
Fluorine binding site 1 out of 4 in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1102

b:70.5
occ:1.00
 F31 A:VQD1102 0.0 70.5 1.0
C30 A:VQD1102 1.4 57.1 1.0
C32 A:VQD1102 2.3 60.5 1.0
C29 A:VQD1102 2.4 59.2 1.0
F33 A:VQD1102 2.7 72.2 1.0
CA A:GLU817 3.1 62.8 1.0
CB A:GLU817 3.4 46.9 1.0
CG A:GLU817 3.5 51.9 1.0
C28 A:VQD1102 3.6 55.9 1.0
C34 A:VQD1102 3.6 58.3 1.0
N A:GLU817 3.7 61.9 1.0
OG A:SER816 4.0 50.6 1.0
O A:SER816 4.1 37.6 1.0
C A:SER816 4.1 53.3 1.0
C27 A:VQD1102 4.1 54.3 1.0
C A:GLU817 4.3 56.2 1.0
CB A:PHE820 4.4 44.6 1.0
CB A:SER132 4.4 54.5 1.0
O A:GLU817 4.5 49.6 1.0
OG A:SER132 4.6 63.3 1.0
CD A:GLU817 4.8 70.3 1.0
CG A:PHE820 5.0 49.6 1.0
O A:SER128 5.0 55.0 1.0
CB A:SER816 5.0 55.0 1.0

Fluorine binding site 2 out of 4 in 7k1d

Go back to Fluorine Binding Sites List in 7k1d
Fluorine binding site 2 out of 4 in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1102

b:72.2
occ:1.00
 F33 A:VQD1102 0.0 72.2 1.0
C32 A:VQD1102 1.4 60.5 1.0
C30 A:VQD1102 2.3 57.1 1.0
C34 A:VQD1102 2.4 58.3 1.0
F31 A:VQD1102 2.7 70.5 1.0
CB A:SER128 3.4 56.5 1.0
CD2 A:PHE820 3.4 57.2 1.0
C29 A:VQD1102 3.6 59.2 1.0
C27 A:VQD1102 3.6 54.3 1.0
OG A:SER128 3.8 66.7 1.0
CG A:PHE820 4.0 49.6 1.0
CE2 A:PHE820 4.0 51.8 1.0
C28 A:VQD1102 4.1 55.9 1.0
CG A:GLU817 4.1 51.9 1.0
CB A:PHE820 4.2 44.6 1.0
C11 A:VQD1102 4.2 53.2 1.0
OE2 A:GLU817 4.5 74.0 1.0
CA A:SER128 4.5 51.9 1.0
C10 A:VQD1102 4.6 47.9 1.0
CA A:GLU817 4.9 62.8 1.0
CD A:GLU817 4.9 70.3 1.0
O A:SER128 4.9 55.0 1.0
CB A:GLU817 4.9 46.9 1.0
C A:SER128 4.9 52.5 1.0
CD1 A:PHE820 4.9 56.7 1.0
C26 A:VQD1102 5.0 60.7 1.0

Fluorine binding site 3 out of 4 in 7k1d

Go back to Fluorine Binding Sites List in 7k1d
Fluorine binding site 3 out of 4 in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1102

b:76.1
occ:1.00
 F31 B:VQD1102 0.0 76.1 1.0
C30 B:VQD1102 1.4 58.1 1.0
C29 B:VQD1102 2.3 59.2 1.0
C32 B:VQD1102 2.4 49.0 1.0
F33 B:VQD1102 2.8 62.4 1.0
CA B:GLU817 2.9 40.0 1.0
CB B:GLU817 3.4 35.6 1.0
N B:GLU817 3.4 44.9 1.0
OG B:SER816 3.5 50.2 1.0
CG B:GLU817 3.6 42.2 1.0
C28 B:VQD1102 3.6 51.5 1.0
C34 B:VQD1102 3.7 46.6 1.0
C B:SER816 3.8 41.8 1.0
O B:SER816 3.9 34.6 1.0
C27 B:VQD1102 4.1 49.0 1.0
C B:GLU817 4.1 47.3 1.0
O B:GLU817 4.3 44.3 1.0
OG B:SER132 4.4 41.9 1.0
CB B:PHE820 4.4 44.8 1.0
CB B:SER816 4.6 54.7 1.0
CB B:SER132 4.6 36.5 1.0
CA B:SER816 4.8 43.6 1.0
CD B:GLU817 4.9 63.6 1.0

Fluorine binding site 4 out of 4 in 7k1d

Go back to Fluorine Binding Sites List in 7k1d
Fluorine binding site 4 out of 4 in the Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound BDM_77291 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1102

b:62.4
occ:1.00
 F33 B:VQD1102 0.0 62.4 1.0
C32 B:VQD1102 1.4 49.0 1.0
C34 B:VQD1102 2.4 46.6 1.0
C30 B:VQD1102 2.4 58.1 1.0
F31 B:VQD1102 2.8 76.1 1.0
OG B:SER128 3.2 60.2 1.0
CB B:SER128 3.5 46.0 1.0
C27 B:VQD1102 3.6 49.0 1.0
C29 B:VQD1102 3.7 59.2 1.0
CD1 B:PHE820 3.9 52.2 1.0
C28 B:VQD1102 4.1 51.5 1.0
CG B:GLU817 4.2 42.2 1.0
CG B:PHE820 4.2 45.2 1.0
C11 B:VQD1102 4.3 53.0 1.0
CB B:PHE820 4.4 44.8 1.0
CE1 B:PHE820 4.4 47.7 1.0
C10 B:VQD1102 4.5 53.7 1.0
CA B:SER128 4.6 43.6 1.0
OE2 B:GLU817 4.8 71.2 1.0
CA B:GLU817 4.8 40.0 1.0
CD2 B:PHE820 4.9 50.6 1.0
CB B:GLU817 4.9 35.6 1.0
C26 B:VQD1102 4.9 51.7 1.0
O B:SER128 5.0 44.0 1.0

Reference:

W.G.Liang, R.Deprez, D.Bosc, W.Tang. Crystal Structure of Human Insulin Degrading Enzyme (Ide) in Complex with Compound 2 To Be Published.
Page generated: Fri Aug 2 08:09:40 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