Fluorine in PDB 5iao: Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis

All present enzymatic activity of Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis:
2.4.2.9;

The structure of Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis, PDB code: 5iao was solved by J.Sivaraman, P.Ghode, S.Ramachandran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.24 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	142.836, 127.770, 90.777, 90.00, 90.38, 90.00
R / Rfree (%)	19.5 / 23.8

The binding sites of Fluorine atom in the Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis (pdb code 5iao). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis, PDB code: 5iao:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:50.6 occ:1.00 F5 A:URF301 0.0 50.6 1.0 C5 A:URF301 1.3 56.2 1.0 C6 A:URF301 2.4 63.7 1.0 C4 A:URF301 2.4 55.6 1.0 H6 A:URF301 2.6 76.4 1.0 O4 A:URF301 2.8 70.5 1.0 NH1 A:ARG58 3.2 30.1 1.0 N1 A:URF301 3.7 79.9 1.0 N3 A:URF301 3.7 50.9 1.0 NH2 A:ARG58 3.9 30.0 1.0 CZ A:ARG58 4.0 30.0 1.0 C2 A:URF301 4.2 57.4 1.0 HN1 A:URF301 4.4 95.8 1.0 HN3 A:URF301 4.5 61.0 1.0 O A:HOH401 4.8 30.7 1.0

Fluorine binding site 2 out of 3 in the Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:49.8 occ:1.00 F5 C:URF301 0.0 49.8 1.0 C5 C:URF301 1.3 56.5 1.0 C6 C:URF301 2.4 71.5 1.0 C4 C:URF301 2.5 51.1 1.0 H6 C:URF301 2.6 85.9 1.0 O4 C:URF301 2.8 62.1 1.0 NH1 C:ARG58 3.1 30.0 1.0 N1 C:URF301 3.7 71.8 1.0 N3 C:URF301 3.7 48.4 1.0 NH2 C:ARG58 3.7 28.2 1.0 CZ C:ARG58 3.9 29.6 1.0 C2 C:URF301 4.2 58.2 1.0 HN1 C:URF301 4.4 86.2 1.0 HN3 C:URF301 4.5 58.0 1.0 O C:HOH403 4.7 32.3 1.0

Fluorine binding site 3 out of 3 in the Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ F:F301 b:77.0 occ:1.00 F5 F:URF301 0.0 77.0 1.0 C5 F:URF301 1.3 67.6 1.0 NH1 F:ARG58 2.1 34.0 1.0 C6 F:URF301 2.4 63.2 1.0 C4 F:URF301 2.4 51.9 1.0 H6 F:URF301 2.6 75.9 1.0 O4 F:URF301 2.7 54.1 1.0 CZ F:ARG58 2.9 31.0 1.0 NH2 F:ARG58 2.9 30.1 1.0 O F:HOH423 3.6 31.8 1.0 N1 F:URF301 3.7 65.2 1.0 N3 F:URF301 3.7 52.1 1.0 NE F:ARG58 4.1 28.3 1.0 C2 F:URF301 4.2 64.1 1.0 NH2 F:ARG179 4.3 38.0 1.0 HN1 F:URF301 4.4 78.3 1.0 HN3 F:URF301 4.5 62.6 1.0 OD2 F:ASP120 4.6 26.7 1.0 O F:VAL178 4.7 28.6 1.0 CD F:ARG58 4.8 34.0 1.0

P.Ghode, S.Ramachandran, P.Bifani, J.Sivaraman. Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis Biochem.Biophys.Res.Commun. V. 471 409 2016.
ISSN: ESSN 1090-2104
PubMed: 26902118
DOI: 10.1016/J.BBRC.2016.02.071