Fluorine in PDB 7jlr: Crystal Structure of Bacillus Subtilis Upps in Complex with JPD447

Protein crystallography data

The structure of Crystal Structure of Bacillus Subtilis Upps in Complex with JPD447, PDB code: 7jlr was solved by S.D.Workman, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.51 / 2.20
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 60.115, 60.115, 161.067, 90, 90, 90
R / Rfree (%) 20.1 / 24.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bacillus Subtilis Upps in Complex with JPD447 (pdb code 7jlr). 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 Bacillus Subtilis Upps in Complex with JPD447, PDB code: 7jlr:

Fluorine binding site 1 out of 1 in 7jlr

Go back to Fluorine Binding Sites List in 7jlr
Fluorine binding site 1 out of 1 in the Crystal Structure of Bacillus Subtilis Upps in Complex with JPD447


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 Bacillus Subtilis Upps in Complex with JPD447 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:76.3
occ:1.00
F25 A:V0D301 0.0 76.3 1.0
C22 A:V0D301 1.3 78.3 1.0
C21 A:V0D301 2.4 80.2 1.0
C23 A:V0D301 2.4 82.2 1.0
C20 A:V0D301 3.6 81.2 1.0
C24 A:V0D301 3.6 84.9 1.0
CD1 A:LEU107 3.7 70.3 1.0
CG1 A:ILE138 3.9 63.0 1.0
CG A:LEU107 4.0 68.2 1.0
CD2 A:LEU107 4.0 66.5 1.0
C19 A:V0D301 4.1 81.0 1.0
CG2 A:ILE138 4.1 58.2 1.0
CD2 A:PHE155 4.1 61.6 1.0
CD1 A:ILE138 4.2 63.6 1.0
CB A:PRO103 4.5 64.7 1.0
CB A:ILE138 4.5 59.8 1.0
CG A:PHE155 4.5 59.4 1.0
CG1 A:VAL121 4.5 58.5 1.0
CE2 A:PHE155 4.5 53.5 1.0
CB A:PHE155 4.8 58.4 1.0
CA A:ILE138 4.8 68.8 1.0
CA A:PRO103 5.0 66.4 1.0
CD1 A:ILE123 5.0 63.0 1.0

Reference:

S.D.Workman, J.Day, M.A.Farha, E.D.Brown, M.G.Organ, N.C.J.S.Strynadka. Structural Insight Into the Inhibition of Undecaprenyl Pyrophosphate Synthase From Gram Positive Bacteria To Be Published.
Page generated: Sat Aug 21 13:48:05 2021

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