Atomistry » Fluorine » PDB 4q0e-4qrc » 4q7b
Atomistry »
  Fluorine »
    PDB 4q0e-4qrc »
      4q7b »

Fluorine in PDB 4q7b: Human Aldose Reductase Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A

Enzymatic activity of Human Aldose Reductase Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A

All present enzymatic activity of Human Aldose Reductase Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A:
1.1.1.21;

Protein crystallography data

The structure of Human Aldose Reductase Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A, PDB code: 4q7b was solved by C.Rechlin, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.73 / 1.19
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.317, 66.739, 47.254, 90.00, 92.07, 90.00
R / Rfree (%) 13.8 / 16

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Aldose Reductase Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A (pdb code 4q7b). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Human Aldose Reductase Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A, PDB code: 4q7b:

Fluorine binding site 1 out of 1 in 4q7b

Go back to Fluorine Binding Sites List in 4q7b
Fluorine binding site 1 out of 1 in the Human Aldose Reductase Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A


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 Complexed with A Ligand with An Idd Structure ([2-(Benzylcarbamoyl)-5-Fluorophenoxy]Acetic Acid) at 1.19 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:11.8
occ:0.80
 F34 A:2YZ402 0.0 11.8 0.8
C33 A:2YZ402 1.3 11.0 0.8
C35 A:2YZ402 2.4 9.7 0.8
C31 A:2YZ402 2.4 12.5 0.8
O A:VAL47 3.2 6.1 1.0
NE1 A:TRP20 3.5 6.6 1.0
CD1 A:TYR48 3.6 5.5 1.0
C9 A:2YZ402 3.6 9.1 0.8
C29 A:2YZ402 3.6 12.5 0.8
O A:HOH593 3.7 17.1 1.0
CD1 A:TRP20 3.7 6.2 1.0
O A:HOH589 3.7 14.2 1.0
CG1 A:VAL47 3.7 6.7 1.0
C A:VAL47 3.8 5.5 1.0
CA A:TYR48 4.0 5.7 1.0
CG2 A:VAL47 4.1 7.1 1.0
C10 A:2YZ402 4.1 11.0 0.8
N A:TYR48 4.2 5.2 1.0
CE1 A:TYR48 4.2 5.8 1.0
CB A:VAL47 4.4 6.5 1.0
CE2 A:TRP20 4.6 7.0 1.0
CG A:TYR48 4.7 5.0 1.0
O A:HOH516 4.7 10.7 1.0
CA A:VAL47 4.7 5.6 1.0
O1 A:2YZ402 4.8 7.7 0.8
CG A:TRP20 4.8 5.7 1.0
CB A:TYR48 4.9 5.7 1.0
C2 A:2YZ402 5.0 7.6 0.8

Reference:

C.Rechlin, A.Heine, F.Scheer, P.Toth, W.Diederich, G.Klebe. Aldose Reductase: How Expensive Is the Opening of the Specificity Pocket? Idd Ligands Under Investigation To Be Published.
Page generated: Thu Aug 1 05:08:51 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