Atomistry » Fluorine » PDB 6tc8-6tug » 6td8
Atomistry »
  Fluorine »
    PDB 6tc8-6tug »
      6td8 »

Fluorine in PDB 6td8: Human Aldose Reductase Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid)

Enzymatic activity of Human Aldose Reductase Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid)

All present enzymatic activity of Human Aldose Reductase Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid):
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 Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid), PDB code: 6td8 was solved by L.-S.Hubert, M.Ley, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.65 / 0.97
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.341, 66.805, 49.308, 90.00, 92.35, 90.00
R / Rfree (%) 10.9 / 12.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Aldose Reductase Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid) (pdb code 6td8). 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 Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid), PDB code: 6td8:

Fluorine binding site 1 out of 1 in 6td8

Go back to Fluorine Binding Sites List in 6td8
Fluorine binding site 1 out of 1 in the Human Aldose Reductase Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid)


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 Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:8.8
occ:1.00
F27 A:30L401 0.0 8.8 1.0
C26 A:30L401 1.4 7.7 1.0
C28 A:30L401 2.3 6.5 1.0
C24 A:30L401 2.3 9.6 1.0
HD1 A:TYR48 2.7 5.4 1.0
HG13 A:VAL47 2.7 6.5 1.0
HA A:TYR48 3.0 5.8 1.0
O A:VAL47 3.1 5.6 1.0
HG22 A:VAL47 3.3 7.2 1.0
HE1 A:TRP20 3.4 6.9 1.0
HD1 A:TRP20 3.5 6.3 1.0
O A:HOH707 3.6 13.9 1.0
CD1 A:TYR48 3.6 4.5 1.0
C30 A:30L401 3.6 6.5 1.0
C22 A:30L401 3.6 9.4 1.0
O A:HOH570 3.6 7.4 1.0
C A:VAL47 3.6 4.9 1.0
CG1 A:VAL47 3.7 5.4 1.0
NE1 A:TRP20 3.7 5.8 1.0
CD1 A:TRP20 3.8 5.2 1.0
CA A:TYR48 3.9 4.8 1.0
HE1 A:TYR48 3.9 5.4 1.0
N A:TYR48 4.0 4.5 1.0
CG2 A:VAL47 4.1 6.0 1.0
C21 A:30L401 4.1 8.3 1.0
HG11 A:VAL47 4.1 6.5 1.0
HG12 A:VAL47 4.2 6.5 1.0
CE1 A:TYR48 4.2 4.5 1.0
HG21 A:VAL47 4.3 7.2 1.0
CB A:VAL47 4.3 5.2 1.0
CA A:VAL47 4.6 5.1 1.0
CG A:TYR48 4.6 4.6 1.0
H A:TYR48 4.6 5.4 1.0
O A:HOH664 4.7 8.3 1.0
O31 A:30L401 4.8 6.2 1.0
CE2 A:TRP20 4.8 6.0 1.0
CB A:TYR48 4.8 4.8 1.0
HG23 A:VAL47 4.8 7.2 1.0
C A:TYR48 4.9 4.8 1.0
CG A:TRP20 4.9 5.3 1.0

Reference:

L.-S.Hubert, M.Ley, F.Scheer, W.Diederich, A.Heine, G.Klebe. Human Aldose Reductase Mutant L301A in Complex with A Ligand with An Idd Structure ({5-Fluoro-2-[(3-Nitrobenzyl)Carbamoyl]Phenoxy}Acetic Acid) To Be Published.
Page generated: Tue Jul 15 15:54:32 2025

Last articles

Mg in 4N0D
Mg in 4MZH
Mg in 4MZ7
Mg in 4MZG
Mg in 4MZF
Mg in 4MYU
Mg in 4MYT
Mg in 4MWH
Mg in 4MYQ
Mg in 4MYO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy