Fluorine in PDB 8tk2: Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid

Enzymatic activity of Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid

All present enzymatic activity of Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid:
3.1.3.16; 3.1.3.48;

Protein crystallography data

The structure of Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid, PDB code: 8tk2 was solved by A.E.Aleshin, J.Wu, L.J.Lambert, N.D.P.Cosford, L.Tautz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.69 / 1.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 35.536, 44.328, 59.863, 78.07, 89.99, 81.69
R / Rfree (%) 17.6 / 22.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid (pdb code 8tk2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid, PDB code: 8tk2:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 8tk2

Go back to Fluorine Binding Sites List in 8tk2
Fluorine binding site 1 out of 4 in the Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:82.8
occ:1.00
 F12 A:I1Y201 0.0 82.8 1.0
C11 A:I1Y201 1.4 75.3 1.0
C13 A:I1Y201 2.4 69.0 1.0
C10 A:I1Y201 2.4 66.4 1.0
C14 A:I1Y201 3.6 60.8 1.0
C09 A:I1Y201 3.7 58.5 1.0
OE2 A:GLU126 4.1 45.2 1.0
C08 A:I1Y201 4.2 55.4 1.0
O A:HOH390 4.3 37.8 1.0
CG A:GLU126 4.5 35.0 1.0
CD A:GLU126 4.6 38.1 1.0
F15 A:I1Y201 4.7 57.4 1.0

Fluorine binding site 2 out of 4 in 8tk2

Go back to Fluorine Binding Sites List in 8tk2
Fluorine binding site 2 out of 4 in the Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:57.4
occ:1.00
 F15 A:I1Y201 0.0 57.4 1.0
C14 A:I1Y201 1.4 60.8 1.0
C13 A:I1Y201 2.4 69.0 1.0
C08 A:I1Y201 2.4 55.4 1.0
C07 A:I1Y201 2.8 46.0 1.0
C11 A:I1Y201 3.6 75.3 1.0
C09 A:I1Y201 3.6 58.5 1.0
CD2 A:LEU25 3.7 34.5 1.0
CD2 A:TYR128 3.7 26.2 1.0
CE2 A:TYR128 4.1 30.3 1.0
C10 A:I1Y201 4.2 66.4 1.0
N06 A:I1Y201 4.3 44.8 1.0
CG A:TYR128 4.4 22.9 1.0
CG A:GLU126 4.4 35.0 1.0
CB A:GLU126 4.7 28.1 1.0
CB A:TYR128 4.7 23.9 1.0
F12 A:I1Y201 4.7 82.8 1.0
O A:HOH354 4.9 36.5 1.0

Fluorine binding site 3 out of 4 in 8tk2

Go back to Fluorine Binding Sites List in 8tk2
Fluorine binding site 3 out of 4 in the Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:90.3
occ:1.00
 F12 B:I1Y201 0.0 90.3 1.0
C11 B:I1Y201 1.4 84.8 1.0
C13 B:I1Y201 2.4 77.3 1.0
C10 B:I1Y201 2.4 78.3 1.0
C14 B:I1Y201 3.6 71.5 1.0
C09 B:I1Y201 3.7 72.1 1.0
C08 B:I1Y201 4.2 63.3 1.0
OE2 B:GLU126 4.5 45.8 1.0
O B:HOH398 4.5 53.2 1.0
F15 B:I1Y201 4.7 73.0 1.0

Fluorine binding site 4 out of 4 in 8tk2

Go back to Fluorine Binding Sites List in 8tk2
Fluorine binding site 4 out of 4 in the Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human VH1-Related Dual-Specificity Phosphatase (Vhr) Complexed with 2- ((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:73.0
occ:1.00
 F15 B:I1Y201 0.0 73.0 1.0
C14 B:I1Y201 1.4 71.5 1.0
C13 B:I1Y201 2.3 77.3 1.0
C08 B:I1Y201 2.4 63.3 1.0
C07 B:I1Y201 3.0 52.0 1.0
CD2 B:LEU25 3.3 35.0 1.0
C11 B:I1Y201 3.6 84.8 1.0
C09 B:I1Y201 3.6 72.1 1.0
CD2 B:TYR128 3.8 22.5 1.0
C10 B:I1Y201 4.1 78.3 1.0
CE2 B:TYR128 4.2 27.8 1.0
CG B:GLU126 4.3 33.5 1.0
CG B:TYR128 4.4 21.3 1.0
N06 B:I1Y201 4.4 52.3 1.0
CB B:GLU126 4.6 29.3 1.0
CG B:LEU25 4.6 32.5 1.0
F12 B:I1Y201 4.7 90.3 1.0
CD1 B:LEU25 4.7 35.2 1.0
CB B:TYR128 4.8 23.6 1.0
CZ B:TYR128 5.0 26.9 1.0

Reference:

A.E.Aleshin, N.Cosford, L.Tautz. Human VH1-Related Dual-Specificity Phosphatase (Vhr) Binding 2-((2,4-Difluorobenzyl)Amino)-2-Oxoacetic Acid To Be Published.
Page generated: Sat Sep 28 20:22:18 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