Fluorine in PDB 8jab: Crystal Structure of Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06

The structure of Crystal Structure of Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06, PDB code: 8jab was solved by B.Zhang, J.Liang, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.84 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.033, 65.264, 144.263, 90, 90, 90
R / Rfree (%)	18.2 / 21.2

The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06 (pdb code 8jab). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06, PDB code: 8jab:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06


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 Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:29.4 occ:1.00 F16 A:U0X501 0.0 29.4 1.0 C15 A:U0X501 1.4 27.0 1.0 C13 A:U0X501 2.3 24.7 1.0 O14 A:U0X501 2.8 25.3 1.0 ND2 A:ASN151 3.0 22.9 1.0 CD1 A:PHE278 3.2 26.6 1.0 O A:HOH771 3.3 24.3 1.0 CB A:TRP276 3.3 21.1 1.0 CG A:TRP276 3.5 20.3 1.0 CD1 A:TRP276 3.6 23.7 1.0 CE1 A:PHE278 3.7 30.4 1.0 C12 A:U0X501 3.7 27.1 1.0 CG A:PHE278 4.0 24.1 1.0 CG A:ASN151 4.0 19.8 1.0 O A:HOH700 4.0 37.9 1.0 C09 A:U0X501 4.1 25.7 1.0 O17 A:U0X501 4.2 30.1 1.0 OD1 A:ASN151 4.2 22.4 1.0 C06 A:U0X501 4.2 21.2 1.0 CD2 A:TRP276 4.4 20.0 1.0 O08 A:U0X501 4.4 23.3 1.0 CD2 A:LEU388 4.4 28.8 1.0 CB A:PHE278 4.4 23.8 1.0 NE1 A:TRP276 4.5 23.9 1.0 CZ A:PHE278 4.7 32.8 1.0 O A:HOH684 4.7 29.0 1.0 O A:HOH761 4.7 37.5 1.0 CA A:TRP276 4.8 23.4 1.0 C11 A:U0X501 4.8 39.0 1.0 O20 A:U0X501 4.8 22.1 1.0 CE2 A:TRP276 4.9 19.6 1.0 C10 A:U0X501 4.9 36.7 1.0 CD2 A:PHE278 4.9 32.3 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:26.0 occ:1.00 F23 A:U0X501 0.0 26.0 1.0 C01 A:U0X501 1.4 22.9 1.0 C02 A:U0X501 2.3 22.0 1.0 O07 A:U0X501 2.8 21.3 1.0 C03 A:U0X501 2.8 21.9 1.0 CG2 A:VAL200 3.3 21.7 1.0 O A:HOH778 3.3 30.4 1.0 O22 A:U0X501 3.3 24.0 1.0 CA A:GLY197 3.5 25.5 1.0 N A:GLY197 3.6 24.7 1.0 CZ2 A:TRP276 3.8 19.2 1.0 C A:GLU196 3.8 21.5 1.0 CG A:GLU196 3.8 24.6 1.0 O A:GLU196 3.9 22.3 1.0 CB A:VAL200 4.0 21.1 1.0 C04 A:U0X501 4.2 20.7 1.0 CB A:GLU196 4.2 24.5 1.0 C06 A:U0X501 4.2 21.2 1.0 O A:HOH694 4.3 41.0 1.0 NE1 A:TRP276 4.4 23.9 1.0 CE2 A:TRP276 4.4 19.6 1.0 NH1 A:ARG421 4.5 20.9 1.0 C05 A:U0X501 4.5 21.6 1.0 CG1 A:VAL200 4.6 22.0 1.0 CA A:GLU196 4.7 24.8 1.0 C A:GLY197 4.7 22.9 1.0 CH2 A:TRP276 4.7 19.9 1.0 O3 A:SO4502 4.9 31.8 1.0 O08 A:U0X501 5.0 23.3 1.0 O A:HOH636 5.0 38.1 1.0 O A:HOH707 5.0 38.6 1.0

B.Zhang, J.Liang, Z.Rao. Crystal Structure of Mycobacterium Tuberculosis Lpqy in Complex with Trehalose Analogue Yb-06 To Be Published.