Atomistry » Fluorine » PDB 8uq7-8v81 » 8v71
Atomistry »
  Fluorine »
    PDB 8uq7-8v81 »
      8v71 »

Fluorine in PDB 8v71: Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7

Enzymatic activity of Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7

All present enzymatic activity of Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7:
2.7.1.140; 2.7.1.151; 2.7.1.153;

Protein crystallography data

The structure of Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7, PDB code: 8v71 was solved by H.Wang, S.B.Shears, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.47 / 1.70
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.333, 78.333, 85.123, 90, 90, 90
R / Rfree (%) 18.3 / 23

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7 (pdb code 8v71). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7, PDB code: 8v71:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8v71

Go back to Fluorine Binding Sites List in 8v71
Fluorine binding site 1 out of 3 in the Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7


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 the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:28.2
occ:1.00
F1 A:YI8501 0.0 28.2 1.0
C12 A:YI8501 1.4 24.1 1.0
F A:YI8501 2.1 31.8 1.0
F2 A:YI8501 2.2 30.4 1.0
C9 A:YI8501 2.3 20.0 1.0
C8 A:YI8501 2.9 17.8 1.0
CD1 A:ILE142 3.4 11.9 1.0
C10 A:YI8501 3.4 17.4 1.0
CG2 A:ILE142 4.1 9.9 1.0
CB A:ILE142 4.2 10.6 1.0
C7 A:YI8501 4.2 15.8 1.0
CG1 A:ILE142 4.4 11.3 1.0
NH1 A:ARG182 4.5 48.1 1.0
C11 A:YI8501 4.6 14.5 1.0
CD A:ARG182 4.7 35.1 1.0
C6 A:YI8501 4.9 12.7 1.0
CB A:ARG182 5.0 23.7 1.0

Fluorine binding site 2 out of 3 in 8v71

Go back to Fluorine Binding Sites List in 8v71
Fluorine binding site 2 out of 3 in the Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7


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 the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:30.4
occ:1.00
F2 A:YI8501 0.0 30.4 1.0
C12 A:YI8501 1.3 24.1 1.0
F A:YI8501 2.1 31.8 1.0
F1 A:YI8501 2.2 28.2 1.0
C9 A:YI8501 2.3 20.0 1.0
C8 A:YI8501 2.9 17.8 1.0
C10 A:YI8501 3.4 17.4 1.0
C7 A:YI8501 4.2 15.8 1.0
C11 A:YI8501 4.6 14.5 1.0
C6 A:YI8501 4.9 12.7 1.0

Fluorine binding site 3 out of 3 in 8v71

Go back to Fluorine Binding Sites List in 8v71
Fluorine binding site 3 out of 3 in the Crystal Structure of the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7


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 the Core Catalytic Domain of Human Inositol Phosphate Multikinase in Complex with Compound 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:31.8
occ:1.00
F A:YI8501 0.0 31.8 1.0
C12 A:YI8501 1.3 24.1 1.0
F2 A:YI8501 2.1 30.4 1.0
F1 A:YI8501 2.1 28.2 1.0
C9 A:YI8501 2.2 20.0 1.0
C10 A:YI8501 2.6 17.4 1.0
C8 A:YI8501 3.5 17.8 1.0
NH1 A:ARG182 3.8 48.1 1.0
OE1 A:GLN67 3.8 38.5 1.0
CD1 A:ILE142 3.8 11.9 1.0
C11 A:YI8501 4.0 14.5 1.0
CD A:GLN67 4.3 34.1 1.0
NE2 A:GLN67 4.5 33.6 1.0
C7 A:YI8501 4.6 15.8 1.0
C6 A:YI8501 4.9 12.7 1.0
CZ A:ARG182 4.9 45.4 1.0

Reference:

H.Wang, S.B.Shears. Structure-Based Development of Ipmk Kinase Inhibitors. To Be Published.
Page generated: Wed Jul 16 09:39:13 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy