Atomistry » Fluorine » PDB 6taw-6tuf » 6tuc
Atomistry »
  Fluorine »
    PDB 6taw-6tuf »
      6tuc »

Fluorine in PDB 6tuc: Human Aldose Reductase in Complex with ALR25

Enzymatic activity of Human Aldose Reductase in Complex with ALR25

All present enzymatic activity of Human Aldose Reductase in Complex with ALR25:
1.1.1.21; 1.1.1.300; 1.1.1.372; 1.1.1.54;

Protein crystallography data

The structure of Human Aldose Reductase in Complex with ALR25, PDB code: 6tuc was solved by A.Sandner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.19 / 1.06
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.185, 66.529, 49.224, 90, 92.13, 90
R / Rfree (%) 12.6 / 14.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Aldose Reductase in Complex with ALR25 (pdb code 6tuc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Aldose Reductase in Complex with ALR25, PDB code: 6tuc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6tuc

Go back to Fluorine Binding Sites List in 6tuc
Fluorine binding site 1 out of 2 in the Human Aldose Reductase in Complex with ALR25


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Aldose Reductase in Complex with ALR25 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:26.9
occ:0.64
F1 A:NXK402 0.0 26.9 0.6
F1 A:NXK402 0.5 6.6 0.4
C4 A:NXK402 1.3 5.9 0.4
C4 A:NXK402 1.4 26.3 0.6
C3 A:NXK402 2.0 6.6 0.4
C5 A:NXK402 2.3 25.6 0.6
C3 A:NXK402 2.3 26.5 0.6
C5 A:NXK402 2.5 5.4 0.4
HD1 A:TYR48 2.8 5.0 1.0
HG13 A:VAL47 2.8 5.3 1.0
O A:VAL47 3.1 4.8 1.0
HA A:TYR48 3.1 4.6 1.0
HG22 A:VAL47 3.2 6.2 1.0
HE1 A:TRP20 3.2 6.2 1.0
C2 A:NXK402 3.3 7.0 0.4
HD1 A:TRP20 3.5 5.2 1.0
C6 A:NXK402 3.6 24.7 0.6
C2 A:NXK402 3.6 26.5 0.6
O A:HOH763 3.6 14.9 1.0
O A:HOH901 3.7 18.0 0.5
NE1 A:TRP20 3.7 5.1 1.0
C6 A:NXK402 3.7 5.2 0.4
C A:VAL47 3.7 4.0 1.0
CD1 A:TYR48 3.7 4.2 1.0
O A:HOH578 3.7 8.7 1.0
CG1 A:VAL47 3.8 4.4 1.0
CD1 A:TRP20 3.8 4.3 1.0
CA A:TYR48 3.9 3.9 1.0
C1 A:NXK402 4.0 6.8 0.4
HE1 A:TYR48 4.0 5.4 1.0
N A:TYR48 4.1 3.5 1.0
CG2 A:VAL47 4.1 5.2 1.0
C1 A:NXK402 4.1 26.3 0.6
HG11 A:VAL47 4.2 5.3 1.0
CE1 A:TYR48 4.3 4.5 1.0
HG21 A:VAL47 4.3 6.2 1.0
HG12 A:VAL47 4.3 5.3 1.0
CB A:VAL47 4.3 4.3 1.0
O A:HOH710 4.6 8.2 1.0
CA A:VAL47 4.6 3.9 1.0
CG A:TYR48 4.7 3.7 1.0
H A:TYR48 4.7 4.2 1.0
O1 A:NXK402 4.7 22.3 0.6
CE2 A:TRP20 4.8 5.0 1.0
O A:HOH945 4.8 10.9 1.0
HG23 A:VAL47 4.8 6.2 1.0
CB A:TYR48 4.8 4.1 1.0
O1 A:NXK402 4.9 5.3 0.4
C A:TYR48 4.9 4.2 1.0
C7 A:NXK402 4.9 19.8 0.6
CG A:TRP20 4.9 4.3 1.0

Fluorine binding site 2 out of 2 in 6tuc

Go back to Fluorine Binding Sites List in 6tuc
Fluorine binding site 2 out of 2 in the Human Aldose Reductase in Complex with ALR25


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Aldose Reductase in Complex with ALR25 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:6.6
occ:0.36
F1 A:NXK402 0.0 6.6 0.4
F1 A:NXK402 0.5 26.9 0.6
C4 A:NXK402 1.4 5.9 0.4
C4 A:NXK402 1.5 26.3 0.6
C5 A:NXK402 2.2 25.6 0.6
C5 A:NXK402 2.3 5.4 0.4
C3 A:NXK402 2.3 6.6 0.4
HD1 A:TYR48 2.4 5.0 1.0
C3 A:NXK402 2.7 26.5 0.6
HG13 A:VAL47 2.7 5.3 1.0
HA A:TYR48 2.9 4.6 1.0
HD1 A:TRP20 3.1 5.2 1.0
HE1 A:TRP20 3.1 6.2 1.0
O A:VAL47 3.2 4.8 1.0
CD1 A:TYR48 3.2 4.2 1.0
NE1 A:TRP20 3.4 5.1 1.0
CD1 A:TRP20 3.4 4.3 1.0
HG22 A:VAL47 3.5 6.2 1.0
C6 A:NXK402 3.5 24.7 0.6
C6 A:NXK402 3.6 5.2 0.4
C2 A:NXK402 3.6 7.0 0.4
HE1 A:TYR48 3.6 5.4 1.0
O A:HOH901 3.7 18.0 0.5
C A:VAL47 3.7 4.0 1.0
CG1 A:VAL47 3.7 4.4 1.0
CA A:TYR48 3.7 3.9 1.0
O A:HOH763 3.8 14.9 1.0
CE1 A:TYR48 3.9 4.5 1.0
C2 A:NXK402 3.9 26.5 0.6
N A:TYR48 3.9 3.5 1.0
C1 A:NXK402 4.1 6.8 0.4
O A:HOH578 4.1 8.7 1.0
HG11 A:VAL47 4.1 5.3 1.0
HG12 A:VAL47 4.2 5.3 1.0
C1 A:NXK402 4.2 26.3 0.6
CG A:TYR48 4.3 3.7 1.0
CG2 A:VAL47 4.3 5.2 1.0
O A:HOH710 4.4 8.2 1.0
CB A:VAL47 4.4 4.3 1.0
CE2 A:TRP20 4.5 5.0 1.0
CG A:TRP20 4.5 4.3 1.0
CB A:TYR48 4.5 4.1 1.0
H A:TYR48 4.5 4.2 1.0
HG21 A:VAL47 4.5 6.2 1.0
O1 A:NXK402 4.6 22.3 0.6
C7 A:NXK402 4.6 19.8 0.6
CA A:VAL47 4.7 3.9 1.0
O1 A:NXK402 4.7 5.3 0.4
HB3 A:TYR48 4.8 4.9 1.0
C A:TYR48 4.8 4.2 1.0
C7 A:NXK402 4.9 4.4 0.4
C8 A:NXK402 4.9 4.3 0.4

Reference:

A.Sandner, A.Heine, G.Klebe, K.Ngo. Human Aldose Reductase in Complex with SAR25 To Be Published.
Page generated: Fri Aug 2 02:10:59 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