Atomistry » Fluorine » PDB 5qtr-5rah » 5r0g
Atomistry »
  Fluorine »
    PDB 5qtr-5rah »
      5r0g »

Fluorine in PDB 5r0g: Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry D07, Dmso-Free

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry D07, Dmso-Free, PDB code: 5r0g was solved by J.Wollenhaupt, A.Metz, T.Barthel, G.M.A.Lima, A.Heine, U.Mueller, G.Klebe, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.22 / 1.73
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.199, 82.298, 93.113, 90.00, 108.08, 90.00
R / Rfree (%) 28.9 / 34

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry D07, Dmso-Free (pdb code 5r0g). 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 Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry D07, Dmso-Free, PDB code: 5r0g:

Fluorine binding site 1 out of 1 in 5r0g

Go back to Fluorine Binding Sites List in 5r0g
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry D07, Dmso-Free


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment F2X-Entry D07, Dmso-Free within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2501

b:20.0
occ:0.54
F A:SYJ2501 0.0 20.0 0.5
C4 A:SYJ2501 1.3 20.0 0.5
C5 A:SYJ2501 2.3 20.0 0.5
C3 A:SYJ2501 2.4 20.0 0.5
CG2 A:ILE2034 3.0 98.4 1.0
S A:SYJ2501 3.1 20.0 0.5
O A:SYJ2501 3.2 20.0 0.5
CE A:LYS1973 3.2 50.5 1.0
O1 A:SYJ2501 3.3 20.0 0.5
C A:SYJ2501 3.6 20.0 0.5
C2 A:SYJ2501 3.6 20.0 0.5
CD A:LYS1973 3.6 63.0 1.0
CG A:LYS1973 3.7 58.3 1.0
O A:LEU2039 3.9 55.2 1.0
CB A:ILE2034 3.9 0.2 1.0
CA A:LEU2039 4.0 0.7 1.0
NZ A:LYS1973 4.0 38.0 1.0
C1 A:SYJ2501 4.1 20.0 0.5
O A:HIS2038 4.1 88.3 1.0
C A:LEU2039 4.1 0.0 1.0
O2 A:SYJ2501 4.2 20.0 0.5
CG1 A:ILE2034 4.3 0.2 1.0
N A:SYJ2501 4.6 20.0 0.5
CB A:LEU2039 4.7 95.5 1.0
CB A:LYS1973 4.8 44.9 1.0
CD1 A:ILE2034 4.9 0.1 1.0
C A:HIS2038 5.0 75.9 1.0

Reference:

J.Wollenhaupt, A.Metz, T.Barthel, G.M.A.Lima, A.Heine, U.Mueller, G.Klebe, M.S.Weiss. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries For Crystallographic Fragment Screening. Structure 2020.
ISSN: ISSN 0969-2126
PubMed: 32413289
DOI: 10.1016/J.STR.2020.04.019
Page generated: Sun Dec 13 12:32:56 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy