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Fluorine in PDB 5qir: Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102305

Enzymatic activity of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102305

All present enzymatic activity of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102305:
3.4.19.12;

Protein crystallography data

The structure of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102305, PDB code: 5qir was solved by R.Sethi, A.Douangamath, E.Resnick, A.R.Bradley, P.Collins, J.Brandao-Neto, R.Talon, T.Krojer, C.Bountra, C.H.Arrowsmith, A.Edwards, N.London, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.25 / 1.43
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.300, 58.462, 49.794, 90.00, 115.94, 90.00
R / Rfree (%) 13.4 / 18.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102305 (pdb code 5qir). 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 Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102305, PDB code: 5qir:

Fluorine binding site 1 out of 1 in 5qir

Go back to Fluorine Binding Sites List in 5qir
Fluorine binding site 1 out of 1 in the Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102305


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Covalent Fragment Group Deposition -- Crystal Structure of OUTB2 in Complex with Pcm-0102305 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:73.4
occ:1.00
F A:J5D301 0.0 73.4 1.0
C6 A:J5D301 1.3 41.2 1.0
C5 A:J5D301 2.4 58.0 1.0
C7 A:J5D301 2.5 50.5 1.0
C8 A:J5D301 3.0 45.5 1.0
OG A:SER223 3.4 36.7 1.0
C9 A:J5D301 3.5 55.9 1.0
O A:HOH414 3.5 34.6 1.0
CB A:SER223 3.7 30.4 1.0
C4 A:J5D301 3.7 43.6 1.0
C3 A:J5D301 4.2 30.4 1.0
O A:THR222 4.5 24.2 1.0

Reference:

R.Sethi, A.Douangamath, E.Resnick, A.R.Bradley, P.Collins, J.Brandao-Neto, R.Talon, T.Krojer, C.Bountra, C.H.Arrowsmith, A.Edwards, N.London, F.Von Delft. Covalent Fragment Group Deposition To Be Published.
Page generated: Tue Jul 15 06:26:03 2025

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