Atomistry » Fluorine » PDB 3qrj-3rgf » 3r94
Atomistry »
  Fluorine »
    PDB 3qrj-3rgf »
      3r94 »

Fluorine in PDB 3r94: AKR1C3 Complex with Flurbiprofen

Enzymatic activity of AKR1C3 Complex with Flurbiprofen

All present enzymatic activity of AKR1C3 Complex with Flurbiprofen:
1.1.1.112; 1.1.1.188; 1.1.1.213; 1.1.1.63; 1.1.1.64;

Protein crystallography data

The structure of AKR1C3 Complex with Flurbiprofen, PDB code: 3r94 was solved by Y.Yosaatmadja, R.M.Teague, J.U.Flanagan, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.42 / 2.01
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.865, 63.770, 95.666, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 22.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the AKR1C3 Complex with Flurbiprofen (pdb code 3r94). 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 AKR1C3 Complex with Flurbiprofen, PDB code: 3r94:

Fluorine binding site 1 out of 1 in 3r94

Go back to Fluorine Binding Sites List in 3r94
Fluorine binding site 1 out of 1 in the AKR1C3 Complex with Flurbiprofen


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of AKR1C3 Complex with Flurbiprofen within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F332

b:29.6
occ:1.00
F A:FLR332 0.0 29.6 1.0
C11 A:FLR332 1.3 27.7 1.0
C10 A:FLR332 2.3 26.9 1.0
C6 A:FLR332 2.3 26.0 1.0
C2 A:FLR332 2.8 25.7 1.0
C3 A:FLR332 2.8 24.0 1.0
CB A:SER118 3.4 18.6 1.0
C9 A:FLR332 3.6 28.0 1.0
C7 A:FLR332 3.6 27.0 1.0
ND2 A:ASN167 3.8 16.1 1.0
OG A:SER118 3.8 21.9 1.0
C1 A:FLR332 4.0 26.0 1.0
C4 A:FLR332 4.0 26.3 1.0
CE A:MET120 4.0 23.5 1.0
C8 A:FLR332 4.1 28.9 1.0
CE1 A:PHE311 4.1 37.2 1.0
O7N A:NAP700 4.3 19.0 1.0
O A:HOH344 4.3 21.6 1.0
CH2 A:TRP86 4.3 27.2 1.0
CG A:ASN167 4.4 21.1 1.0
CZ3 A:TRP86 4.5 25.5 1.0
CD1 A:PHE311 4.6 32.9 1.0
O A:HOH371 4.6 27.5 1.0
O A:HIS117 4.7 18.1 1.0
CD2 A:HIS117 4.7 19.3 1.0
C12 A:FLR332 4.8 30.7 1.0
CA A:SER118 4.8 19.2 1.0
CZ A:PHE311 4.9 35.0 1.0
CB A:ASN167 5.0 17.2 1.0
C A:FLR332 5.0 26.7 1.0

Reference:

J.U.Flanagan, Y.Yosaatmadja, R.M.Teague, M.Z.Chai, A.P.Turnbull, C.J.Squire. Crystal Structures of Three Classes of Non-Steroidal Anti-Inflammatory Drugs in Complex with Aldo-Keto Reductase 1C3. Plos One V. 7 43965 2012.
ISSN: ESSN 1932-6203
PubMed: 22937138
DOI: 10.1371/JOURNAL.PONE.0043965
Page generated: Wed Jul 31 22:14:03 2024

Last articles

Ba in 3GOM
Ba in 3GOJ
Ba in 2YN6
Ba in 3FQB
Ba in 3E8F
Ba in 2YDH
Ba in 3E8V
Ba in 3ATA
Ba in 3AT8
Ba in 3AA7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy