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Fluorine in PDB 1x98: Crystal Structure of Aldose Reductase Complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S)

Enzymatic activity of Crystal Structure of Aldose Reductase Complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S)

All present enzymatic activity of Crystal Structure of Aldose Reductase Complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S):
1.1.1.21;

Protein crystallography data

The structure of Crystal Structure of Aldose Reductase Complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S), PDB code: 1x98 was solved by O.El-Kabbani, C.Darmanin, M.Oka, C.Schulze-Briese, T.Tomizaki, I.Hazemann, A.Mitschler, A.Podjarny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.433, 66.892, 47.469, 90.00, 91.66, 90.00
R / Rfree (%) 17.6 / 20.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Aldose Reductase Complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) (pdb code 1x98). 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 Crystal Structure of Aldose Reductase Complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S), PDB code: 1x98:

Fluorine binding site 1 out of 1 in 1x98

Go back to Fluorine Binding Sites List in 1x98
Fluorine binding site 1 out of 1 in the Crystal Structure of Aldose Reductase Complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S)


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 Aldose Reductase Complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1320

b:12.6
occ:1.00
 F17 A:FIS1320 0.0 12.6 1.0
C14 A:FIS1320 1.3 8.9 1.0
C15 A:FIS1320 2.3 8.8 1.0
C13 A:FIS1320 2.3 11.9 1.0
O A:HOH1738 3.0 15.8 1.0
O A:HOH1739 3.2 37.1 1.0
O A:HOH1497 3.2 18.4 1.0
C16 A:FIS1320 3.5 8.8 1.0
C12 A:FIS1320 3.6 8.3 1.0
C11 A:FIS1320 4.0 7.0 1.0
CB A:PRO218 4.5 13.2 1.0
C7I A:FIS1320 4.8 7.6 1.0
C5 A:FIS1320 5.0 8.8 1.0

Reference:

O.El-Kabbani, C.Darmanin, M.Oka, C.Schulze-Briese, T.Tomizaki, I.Hazemann, A.Mitschler, A.Podjarny. High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction Between the Enzyme and A Cyclic Imide Type Inhibitor J.Med.Chem. V. 47 4530 2004.
ISSN: ISSN 0022-2623
PubMed: 15317464
DOI: 10.1021/JM0497794
Page generated: Sun Dec 13 11:33:54 2020

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