Fluorine in PDB 6f0e: Structure of Yeast SEC14P with A Picolinamide Compound

Protein crystallography data

The structure of Structure of Yeast SEC14P with A Picolinamide Compound, PDB code: 6f0e was solved by Z.Hong, P.Johnen, G.Schaaf, F.Bono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.41 / 2.60
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.077, 88.077, 109.254, 90.00, 90.00, 120.00
R / Rfree (%) 19.9 / 22.6

Other elements in 6f0e:

The structure of Structure of Yeast SEC14P with A Picolinamide Compound also contains other interesting chemical elements:

Bromine (Br) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Yeast SEC14P with A Picolinamide Compound (pdb code 6f0e). 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 Structure of Yeast SEC14P with A Picolinamide Compound, PDB code: 6f0e:

Fluorine binding site 1 out of 1 in 6f0e

Go back to Fluorine Binding Sites List in 6f0e
Fluorine binding site 1 out of 1 in the Structure of Yeast SEC14P with A Picolinamide Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Yeast SEC14P with A Picolinamide Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:55.3
occ:1.00
F13 A:C8K401 0.0 55.3 1.0
C4 A:C8K401 1.3 51.8 1.0
C5 A:C8K401 2.4 53.6 1.0
C3 A:C8K401 2.4 53.3 1.0
O17 A:C8K401 2.7 53.1 1.0
C15 A:C8K401 2.8 52.6 1.0
CB A:SER201 3.1 49.3 1.0
CA A:SER201 3.2 47.4 1.0
OG A:SER201 3.2 56.4 1.0
OH A:TYR151 3.5 46.5 1.0
CZ A:TYR151 3.6 50.6 1.0
CB A:TYR205 3.6 44.5 1.0
N2 A:C8K401 3.6 56.7 1.0
C6 A:C8K401 3.6 59.5 1.0
CE2 A:TYR151 3.7 51.2 1.0
O A:SER201 3.8 50.5 1.0
C A:SER201 3.9 52.8 1.0
N16 A:C8K401 3.9 54.8 1.0
O A:TYR205 3.9 46.1 1.0
C1 A:C8K401 4.1 55.5 1.0
CE1 A:TYR151 4.3 47.3 1.0
CG A:TYR205 4.4 44.5 1.0
CD2 A:TYR151 4.5 49.4 1.0
CB A:ARG208 4.5 45.1 1.0
N A:SER201 4.5 46.8 1.0
C A:TYR205 4.7 49.6 1.0
CA A:TYR205 4.7 48.1 1.0
CD1 A:TYR205 4.7 43.9 1.0
C20 A:C8K401 4.9 54.3 1.0
CD1 A:TYR151 4.9 46.4 1.0
C18 A:C8K401 4.9 50.1 1.0

Reference:

V.Pries, C.Nocker, D.Khan, P.Johnen, Z.Hong, A.Tripathi, A.L.Keller, M.Fitz, F.Perruccio, I.Filipuzzi, S.Thavam, T.Aust, R.Riedl, S.Ziegler, F.Bono, G.Schaaf, V.A.Bankaitis, H.Waldmann, D.Hoepfner. Target Identification and Mechanism of Action of Picolinamide and Benzamide Chemotypes with Antifungal Properties. Cell Chem Biol V. 25 279 2018.
ISSN: ESSN 2451-9448
PubMed: 29307839
DOI: 10.1016/J.CHEMBIOL.2017.12.007
Page generated: Sun Dec 13 12:49:56 2020

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