Fluorine in PDB 7c2m: Crystal Structure of Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349

All present enzymatic activity of Crystal Structure of Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349:
3.2.1.17;

The structure of Crystal Structure of Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349, PDB code: 7c2m was solved by B.Zhang, X.Yang, T.Hu, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.40 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.243, 143.625, 143.198, 90.00, 90.00, 90.00
R / Rfree (%)	25.3 / 28.1

The binding sites of Fluorine atom in the Crystal Structure of Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349 (pdb code 7c2m). 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 Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349, PDB code: 7c2m:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349


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 Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:0.9 occ:1.00 F01 A:FFU1001 0.0 0.9 1.0 C02 A:FFU1001 1.4 0.7 1.0 C03 A:FFU1001 2.4 0.7 1.0 C22 A:FFU1001 2.4 0.3 1.0 O A:VAL638 3.2 0.2 1.0 N A:LEU642 3.5 0.5 1.0 CA A:GLY641 3.6 96.4 1.0 C20 A:FFU1001 3.7 0.4 1.0 C A:GLY641 3.7 0.7 1.0 C04 A:FFU1001 3.7 0.3 1.0 CA A:VAL638 3.9 87.1 1.0 C A:VAL638 3.9 99.7 1.0 CG2 A:ILE297 4.1 69.9 1.0 C19 A:FFU1001 4.2 0.1 1.0 N A:GLY641 4.3 0.8 1.0 CA A:LEU642 4.4 0.7 1.0 CG1 A:VAL638 4.4 95.2 1.0 O A:ALA637 4.4 99.6 1.0 O A:GLY641 4.4 1.0 1.0 CG1 A:ILE297 4.6 87.5 1.0 CB A:VAL638 4.7 83.2 1.0 CB A:LEU642 4.7 97.7 1.0 F21 A:FFU1001 4.8 0.4 1.0 CB A:ILE297 4.8 87.6 1.0 N05 A:FFU1001 4.9 1.0 1.0 N A:VAL638 5.0 93.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349


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 Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:0.4 occ:1.00 F21 A:FFU1001 0.0 0.4 1.0 C20 A:FFU1001 1.4 0.4 1.0 C22 A:FFU1001 2.4 0.3 1.0 C19 A:FFU1001 2.4 0.1 1.0 C18 A:FFU1001 3.1 0.1 1.0 CG1 A:ILE249 3.5 89.3 1.0 C04 A:FFU1001 3.7 0.3 1.0 C02 A:FFU1001 3.7 0.7 1.0 CG2 A:ILE249 3.9 77.3 1.0 CD1 A:ILE253 3.9 94.4 1.0 CD1 A:ILE249 4.0 90.0 1.0 CB A:ILE249 4.1 1.0 1.0 C03 A:FFU1001 4.2 0.7 1.0 CG1 A:ILE253 4.2 91.7 1.0 CA A:ILE249 4.2 1.0 1.0 CD1 A:LEU686 4.2 0.5 1.0 CD1 A:LEU708 4.3 88.5 1.0 C06 A:FFU1001 4.4 0.7 1.0 CD2 A:LEU708 4.5 81.4 1.0 CD2 A:LEU686 4.5 1.0 1.0 CD1 A:LEU642 4.5 0.5 1.0 O A:ILE249 4.6 0.3 1.0 N05 A:FFU1001 4.6 1.0 1.0 F01 A:FFU1001 4.8 0.9 1.0 C A:ILE249 4.9 0.6 1.0 CG1 A:VAL638 5.0 95.2 1.0

B.Zhang, X.Yang, T.Hu, Z.Rao. Crystal Structure of Mycolic Acid Transporter MMPL3 From Mycobacterium Smegmatis Complexed with Nitd-349 To Be Published.