Fluorine in PDB 4obv: Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt)

The structure of Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt), PDB code: 4obv was solved by J.S.Fraser, A.H.Van Benschoten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.44 / 2.84
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	135.030, 135.030, 249.800, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.2

The binding sites of Fluorine atom in the Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt) (pdb code 4obv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt), PDB code: 4obv:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt) within 5.0Å range: probe atom residue distance (Å) B Occ D:F501 b:74.5 occ:1.00 F01 D:2SU501 0.0 74.5 1.0 C10 D:2SU501 1.3 49.9 1.0 C06 D:2SU501 2.3 64.4 1.0 O03 D:2SU501 2.5 55.9 1.0 C13 D:2SU501 2.6 68.4 1.0 C07 D:2SU501 3.0 46.5 1.0 OE1 D:GLU463 3.0 56.7 1.0 N05 D:2SU501 3.5 46.4 1.0 CD D:GLU463 3.6 46.4 1.0 OE2 D:GLU463 3.6 43.7 1.0 O02 D:2SU501 3.6 61.4 1.0 C08 D:2SU501 4.4 36.8 1.0 CG D:GLU463 4.9 30.9 1.0 O B:LEU20 4.9 58.5 1.0

Fluorine binding site 2 out of 4 in the Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt) within 5.0Å range: probe atom residue distance (Å) B Occ C:F501 b:83.9 occ:1.00 F01 C:2SU501 0.0 83.9 1.0 C10 C:2SU501 1.3 55.3 1.0 C06 C:2SU501 2.3 71.0 1.0 C13 C:2SU501 2.4 84.3 1.0 O02 C:2SU501 2.6 84.5 1.0 O03 C:2SU501 3.3 54.8 1.0 C07 C:2SU501 3.3 44.8 1.0 N05 C:2SU501 3.4 31.5 1.0 OE1 C:GLU463 3.5 61.8 1.0 CD C:GLU463 4.2 51.9 1.0 OE2 C:GLU463 4.2 44.6 1.0 C08 C:2SU501 4.6 40.2 1.0 O A:LEU20 4.9 56.9 1.0 OG C:SER105 5.0 59.2 1.0

Fluorine binding site 3 out of 4 in the Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt) within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:76.1 occ:1.00 F01 B:2SU501 0.0 76.1 1.0 C10 B:2SU501 1.3 40.6 1.0 C06 B:2SU501 2.3 56.3 1.0 OE1 B:GLU463 2.3 53.0 1.0 C07 B:2SU501 2.5 53.3 1.0 CD B:GLU463 3.1 45.5 1.0 C13 B:2SU501 3.1 57.5 1.0 O02 B:2SU501 3.3 72.7 1.0 N05 B:2SU501 3.4 41.1 1.0 OE2 B:GLU463 3.5 42.1 1.0 C08 B:2SU501 3.9 45.4 1.0 CG2 D:ILE19 4.1 44.4 1.0 O03 B:2SU501 4.2 39.6 1.0 CG B:GLU463 4.2 29.2 1.0 O D:LEU20 4.7 50.7 1.0 C09 B:2SU501 4.7 30.5 1.0 C14 B:2SU501 4.8 35.2 1.0

Fluorine binding site 4 out of 4 in the Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Ruminococcus Gnavus Tryptophan Decarboxylase RUMGNA_01526 (Alpha-Fmt) within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:70.6 occ:1.00 F01 A:2SU502 0.0 70.6 1.0 C10 A:2SU502 1.3 70.2 1.0 C06 A:2SU502 2.3 59.4 1.0 C13 A:2SU502 2.4 64.9 1.0 O03 A:2SU502 2.7 74.6 1.0 O02 A:2SU502 3.2 51.8 1.0 N05 A:2SU502 3.3 37.0 1.0 C07 A:2SU502 3.4 48.5 1.0 OG A:SER105 3.7 62.2 1.0 OE1 A:GLU463 4.1 61.9 1.0 O C:LEU20 4.5 57.5 1.0 OE2 A:GLU463 4.7 45.0 1.0 C08 A:2SU502 4.7 45.8 1.0 CD A:GLU463 4.7 50.9 1.0 CB A:SER105 4.8 28.0 1.0

B.B.Williams, A.H.Van Benschoten, P.Cimermancic, M.S.Donia, M.Zimmermann, M.Taketani, A.Ishihara, P.C.Kashyap, J.S.Fraser, M.A.Fischbach. Discovery and Characterization of Gut Microbiota Decarboxylases That Can Produce the Neurotransmitter Tryptamine. Cell Host Microbe V. 16 495 2014.
ISSN: ISSN 1931-3128
PubMed: 25263219
DOI: 10.1016/J.CHOM.2014.09.001