Fluorine in PDB 5i7f: Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405

All present enzymatic activity of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405:
1.3.1.9;

The structure of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405, PDB code: 5i7f was solved by S.Eltschkner, P.J.Tonge, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.17 / 2.70
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	138.434, 109.775, 269.802, 90.00, 104.51, 90.00
R / Rfree (%)	19.2 / 22.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 (pdb code 5i7f). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405, PDB code: 5i7f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


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 B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ B:F302 b:48.7 occ:1.00 FAD B:68O302 0.0 48.7 1.0 CAO B:68O302 1.3 48.6 1.0 CAG B:68O302 2.4 48.4 1.0 CAR B:68O302 2.4 48.9 1.0 HAG B:68O302 2.6 58.0 1.0 OAL B:68O302 2.6 49.3 1.0 H2D B:NAD301 2.6 53.6 1.0 H3D B:NAD301 2.9 53.3 1.0 HA3 B:GLY93 2.9 59.8 1.0 H51N B:NAD301 3.3 53.4 1.0 HO2N B:NAD301 3.3 53.3 1.0 CB B:ALA196 3.3 48.3 1.0 C2D B:NAD301 3.3 44.7 1.0 O B:GLY93 3.5 52.0 1.0 C3D B:NAD301 3.6 44.4 1.0 CAE B:68O302 3.6 48.5 1.0 H52A B:NAD301 3.6 58.8 1.0 CA B:GLY93 3.6 49.8 1.0 CAH B:68O302 3.6 48.5 1.0 C B:GLY93 3.7 51.2 1.0 O2D B:NAD301 3.8 44.5 1.0 HAM B:68O302 3.8 59.1 1.0 CAQ B:68O302 4.0 49.6 1.0 H B:GLY93 4.1 59.0 1.0 CAF B:68O302 4.1 48.5 1.0 N B:GLY93 4.1 49.2 1.0 C5D B:NAD301 4.2 44.5 1.0 O1N B:NAD301 4.3 55.3 1.0 C4D B:NAD301 4.4 44.5 1.0 H51A B:NAD301 4.4 58.8 1.0 HA2 B:GLY93 4.5 59.8 1.0 HAE B:68O302 4.5 58.2 1.0 N B:PHE94 4.5 51.8 1.0 C5B B:NAD301 4.5 49.0 1.0 HAH B:68O302 4.5 58.2 1.0 HAJ B:68O302 4.6 60.0 1.0 O3D B:NAD301 4.6 44.2 1.0 H52N B:NAD301 4.6 53.4 1.0 HA B:PHE94 4.7 64.2 1.0 CA B:ALA196 4.7 50.0 1.0 OAB B:68O302 4.7 49.3 1.0 C1D B:NAD301 4.8 45.5 1.0 CAJ B:68O302 4.8 50.0 1.0 H2N B:NAD301 4.9 58.2 1.0 CAM B:68O302 4.9 49.4 1.0 HO3N B:NAD301 4.9 53.0 1.0 H B:PHE94 5.0 62.1 1.0 O4D B:NAD301 5.0 44.5 1.0

Fluorine binding site 2 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


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 B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ B:F302 b:50.5 occ:1.00 FAC B:68O302 0.0 50.5 1.0 CAN B:68O302 1.3 50.1 1.0 CAJ B:68O302 2.3 50.0 1.0 CAP B:68O302 2.3 49.7 1.0 HAL B:68O302 2.4 59.3 1.0 HAJ B:68O302 2.6 60.0 1.0 HE1 B:PHE203 2.6 66.1 1.0 CAK B:68O302 2.8 49.4 1.0 HAB B:68O302 2.8 59.2 1.0 CE1 B:PHE203 3.0 55.1 1.0 HD1 B:PHE203 3.0 68.8 1.0 O7N B:NAD301 3.2 50.3 1.0 CD1 B:PHE203 3.2 57.3 1.0 CA B:ALA197 3.3 46.0 1.0 CAA B:68O302 3.3 49.4 1.0 CB B:ALA197 3.3 45.5 1.0 CAQ B:68O302 3.6 49.6 1.0 C7N B:NAD301 3.6 50.0 1.0 CAI B:68O302 3.6 49.4 1.0 HAK B:68O302 3.8 59.3 1.0 H72N B:NAD301 3.9 60.1 1.0 N7N B:NAD301 3.9 50.1 1.0 CZ B:PHE203 4.0 55.4 1.0 HAA B:68O302 4.0 59.2 1.0 HAC B:68O302 4.1 59.2 1.0 CAM B:68O302 4.1 49.4 1.0 N B:ALA197 4.1 45.6 1.0 CG1 B:ILE200 4.2 47.9 1.0 O B:ILE192 4.3 55.4 1.0 HZ B:PHE203 4.3 66.5 1.0 O B:ALA197 4.3 48.5 1.0 CG B:PHE203 4.3 59.9 1.0 C B:ALA197 4.4 47.8 1.0 H B:ILE192 4.4 60.3 1.0 C3N B:NAD301 4.4 49.2 1.0 HAH B:68O302 4.5 58.2 1.0 HAI B:68O302 4.5 59.3 1.0 HA B:PRO191 4.6 51.6 1.0 CB B:ILE200 4.6 50.1 1.0 H71N B:NAD301 4.6 60.1 1.0 OAL B:68O302 4.7 49.3 1.0 HB2 B:PHE203 4.8 75.3 1.0 C B:ALA196 4.8 49.4 1.0 H4N B:NAD301 4.9 58.9 1.0 O B:ALA196 4.9 52.0 1.0 CE2 B:PHE203 4.9 58.0 1.0

Fluorine binding site 3 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ E:F302 b:56.8 occ:1.00 FAD E:68O302 0.0 56.8 1.0 CAO E:68O302 1.3 56.4 1.0 CAG E:68O302 2.4 56.2 1.0 CAR E:68O302 2.4 56.3 1.0 H2D E:NAD301 2.5 65.5 1.0 HAG E:68O302 2.6 67.5 1.0 OAL E:68O302 2.6 56.4 1.0 H3D E:NAD301 2.9 65.2 1.0 HA3 E:GLY93 3.0 62.4 1.0 CB E:ALA196 3.1 57.3 1.0 C2D E:NAD301 3.2 54.5 1.0 HO2N E:NAD301 3.2 65.9 1.0 C3D E:NAD301 3.5 54.3 1.0 H52A E:NAD301 3.5 58.4 1.0 O2D E:NAD301 3.6 54.9 1.0 CAE E:68O302 3.6 56.2 1.0 CAH E:68O302 3.6 56.2 1.0 O5D E:NAD301 3.7 55.6 1.0 CA E:GLY93 3.8 52.0 1.0 O E:GLY93 3.8 55.4 1.0 C E:GLY93 3.9 53.9 1.0 HE2 E:MET159 3.9 69.7 1.0 CAQ E:68O302 4.0 56.8 1.0 HAM E:68O302 4.1 67.6 1.0 CAF E:68O302 4.1 56.2 1.0 H E:GLY93 4.2 61.6 1.0 H51A E:NAD301 4.2 58.4 1.0 HO3N E:NAD301 4.2 65.0 1.0 N E:GLY93 4.3 51.3 1.0 HAJ E:68O302 4.4 68.6 1.0 C5B E:NAD301 4.4 48.6 1.0 H2N E:NAD301 4.4 64.0 1.0 C5D E:NAD301 4.5 55.5 1.0 O3D E:NAD301 4.5 54.1 1.0 C4D E:NAD301 4.5 54.7 1.0 H51N E:NAD301 4.5 66.6 1.0 HAE E:68O302 4.5 67.5 1.0 HAH E:68O302 4.5 67.4 1.0 CA E:ALA196 4.5 59.6 1.0 HA2 E:GLY93 4.6 62.4 1.0 O3 E:NAD301 4.6 67.2 1.0 C1D E:NAD301 4.6 54.2 1.0 CAJ E:68O302 4.7 57.1 1.0 PN E:NAD301 4.7 55.7 1.0 CE E:MET159 4.7 58.1 1.0 HE1 E:MET159 4.7 69.7 1.0 N E:PHE94 4.7 54.2 1.0 O2A E:NAD301 4.8 67.7 1.0 O1N E:NAD301 4.8 56.2 1.0 OAB E:68O302 4.9 56.4 1.0 O4D E:NAD301 4.9 54.2 1.0 CAM E:68O302 5.0 56.6 1.0 HE3 E:MET159 5.0 69.7 1.0 HA E:PHE94 5.0 67.9 1.0

Fluorine binding site 4 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ E:F302 b:57.3 occ:1.00 FAC E:68O302 0.0 57.3 1.0 CAN E:68O302 1.3 57.0 1.0 HAK E:68O302 2.3 68.6 1.0 CAJ E:68O302 2.3 57.1 1.0 CAP E:68O302 2.3 56.9 1.0 HAJ E:68O302 2.6 68.6 1.0 CAK E:68O302 2.8 57.2 1.0 HE1 E:PHE203 2.9 69.7 1.0 CB E:ALA197 3.0 60.2 1.0 CA E:ALA197 3.0 60.3 1.0 HD1 E:PHE203 3.1 71.1 1.0 CE1 E:PHE203 3.2 58.1 1.0 CD1 E:PHE203 3.3 59.2 1.0 HAL E:68O302 3.3 68.6 1.0 O7N E:NAD301 3.5 52.6 1.0 CAQ E:68O302 3.6 56.8 1.0 CAI E:68O302 3.6 56.6 1.0 C7N E:NAD301 3.8 53.0 1.0 H72N E:NAD301 3.9 63.5 1.0 CD1 E:ILE200 3.9 56.1 1.0 N E:ALA197 3.9 60.0 1.0 N7N E:NAD301 4.0 52.9 1.0 CAA E:68O302 4.0 57.5 1.0 HAC E:68O302 4.0 69.0 1.0 CAM E:68O302 4.1 56.6 1.0 O E:ILE192 4.1 57.1 1.0 CZ E:PHE203 4.1 59.2 1.0 C E:ALA197 4.1 62.5 1.0 O E:ALA197 4.2 62.8 1.0 CG E:PHE203 4.3 61.5 1.0 H E:ILE192 4.4 65.4 1.0 HZ E:PHE203 4.4 71.0 1.0 HAI E:68O302 4.5 67.9 1.0 C E:ALA196 4.6 59.9 1.0 H71N E:NAD301 4.6 63.5 1.0 HB2 E:PHE203 4.6 75.6 1.0 HAB E:68O302 4.6 69.0 1.0 C3N E:NAD301 4.6 53.5 1.0 HA E:PRO191 4.7 63.6 1.0 HAH E:68O302 4.7 67.4 1.0 OAL E:68O302 4.7 56.4 1.0 O E:ALA196 4.7 60.1 1.0 HAA E:68O302 4.7 69.0 1.0 CG1 E:ILE200 4.7 58.1 1.0 CB E:ILE200 4.9 59.9 1.0 CE2 E:PHE203 4.9 61.4 1.0 CD2 E:PHE203 5.0 62.6 1.0

Fluorine binding site 5 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ H:F302 b:42.8 occ:1.00 FAD H:68O302 0.0 42.8 1.0 CAO H:68O302 1.3 42.9 1.0 CAG H:68O302 2.3 42.8 1.0 CAR H:68O302 2.3 43.3 1.0 HAG H:68O302 2.6 51.4 1.0 OAL H:68O302 2.6 43.5 1.0 HA3 H:GLY93 2.7 62.2 1.0 H2D H:NAD301 3.1 57.0 1.0 H3D H:NAD301 3.1 57.9 1.0 O H:GLY93 3.3 53.0 1.0 C H:GLY93 3.3 52.6 1.0 CA H:GLY93 3.4 51.8 1.0 HAM H:68O302 3.4 52.0 1.0 HE2 H:MET159 3.5 67.6 1.0 CB H:ALA196 3.5 48.1 1.0 CAE H:68O302 3.6 43.1 1.0 CAH H:68O302 3.6 43.4 1.0 C2D H:NAD301 3.7 47.5 1.0 C3D H:NAD301 3.8 48.2 1.0 O2D H:NAD301 3.9 47.7 1.0 CAQ H:68O302 4.0 44.1 1.0 H52A H:NAD301 4.0 70.4 1.0 H H:GLY93 4.1 62.1 1.0 N H:GLY93 4.1 51.8 1.0 CAF H:68O302 4.1 43.4 1.0 N H:PHE94 4.1 53.1 1.0 HE1 H:MET159 4.1 67.6 1.0 HA2 H:GLY93 4.2 62.2 1.0 CE H:MET159 4.2 56.3 1.0 HA H:PHE94 4.3 64.8 1.0 OAB H:68O302 4.4 43.3 1.0 O5D H:NAD301 4.5 48.3 1.0 HAE H:68O302 4.5 51.7 1.0 HAH H:68O302 4.5 52.1 1.0 O3D H:NAD301 4.5 49.0 1.0 H51A H:NAD301 4.5 70.4 1.0 H H:PHE94 4.5 63.7 1.0 HO2N H:NAD301 4.6 57.2 1.0 HE3 H:MET159 4.6 67.6 1.0 CAM H:68O302 4.7 43.6 1.0 CA H:PHE94 4.8 54.0 1.0 C5B H:NAD301 4.8 58.7 1.0 CA H:ALA196 4.8 49.8 1.0 HAJ H:68O302 4.8 53.8 1.0 HZ1 H:LYS163 4.9 52.4 1.0 CAJ H:68O302 4.9 44.8 1.0

Fluorine binding site 6 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ H:F302 b:45.8 occ:1.00 FAC H:68O302 0.0 45.8 1.0 CAN H:68O302 1.3 45.1 1.0 CAJ H:68O302 2.3 44.8 1.0 CAP H:68O302 2.4 44.0 1.0 HE1 H:PHE203 2.4 70.0 1.0 HAL H:68O302 2.5 52.0 1.0 HAJ H:68O302 2.6 53.8 1.0 HAA H:68O302 2.6 51.6 1.0 CAK H:68O302 2.8 43.3 1.0 CE1 H:PHE203 3.0 58.4 1.0 HD1 H:PHE203 3.0 72.0 1.0 O7N H:NAD301 3.1 47.3 1.0 CAA H:68O302 3.2 43.0 1.0 CD1 H:PHE203 3.3 60.0 1.0 CB H:ALA197 3.4 53.4 1.0 CA H:ALA197 3.4 53.8 1.0 C7N H:NAD301 3.4 46.7 1.0 CAQ H:68O302 3.6 44.1 1.0 CAI H:68O302 3.6 43.4 1.0 CD1 H:ILE200 3.6 50.5 1.0 H72N H:NAD301 3.7 55.9 1.0 N7N H:NAD301 3.7 46.6 1.0 HAK H:68O302 3.8 52.0 1.0 HAC H:68O302 3.9 51.6 1.0 HAB H:68O302 4.0 51.6 1.0 CAM H:68O302 4.1 43.6 1.0 CZ H:PHE203 4.1 58.9 1.0 O H:ILE192 4.2 51.7 1.0 H H:ILE192 4.2 59.9 1.0 C3N H:NAD301 4.3 46.0 1.0 N H:ALA197 4.3 52.1 1.0 HZ H:PHE203 4.3 70.7 1.0 HAH H:68O302 4.4 52.1 1.0 HA H:PRO191 4.4 59.8 1.0 H71N H:NAD301 4.4 55.9 1.0 O H:ALA197 4.5 58.3 1.0 C H:ALA197 4.5 56.1 1.0 HAI H:68O302 4.5 52.1 1.0 CG H:PHE203 4.6 62.2 1.0 H4N H:NAD301 4.7 55.0 1.0 OAL H:68O302 4.7 43.5 1.0 CG1 H:ILE200 4.8 52.3 1.0 HB3 H:PRO191 4.8 62.1 1.0 C4N H:NAD301 4.8 45.9 1.0 N H:ILE192 4.9 49.9 1.0

Fluorine binding site 7 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ C:F302 b:51.4 occ:1.00 FAD C:68O302 0.0 51.4 1.0 CAO C:68O302 1.3 50.9 1.0 CAG C:68O302 2.3 50.9 1.0 CAR C:68O302 2.4 50.6 1.0 HAG C:68O302 2.6 61.1 1.0 OAL C:68O302 2.6 50.1 1.0 HA3 C:GLY93 2.7 60.7 1.0 H3D C:NAD301 3.0 54.2 1.0 H2D C:NAD301 3.0 54.4 1.0 CA C:GLY93 3.4 50.6 1.0 O C:GLY93 3.4 53.2 1.0 C C:GLY93 3.4 50.1 1.0 HE2 C:MET159 3.4 73.5 1.0 CB C:ALA196 3.5 51.7 1.0 C2D C:NAD301 3.5 45.3 1.0 CAE C:68O302 3.6 51.2 1.0 CAH C:68O302 3.6 51.0 1.0 C3D C:NAD301 3.7 45.2 1.0 O2D C:NAD301 3.7 45.3 1.0 H52A C:NAD301 3.8 65.4 1.0 CAQ C:68O302 4.0 50.0 1.0 H C:GLY93 4.0 59.6 1.0 N C:GLY93 4.0 49.7 1.0 CAF C:68O302 4.1 51.2 1.0 HA2 C:GLY93 4.2 60.7 1.0 N C:PHE94 4.2 49.1 1.0 HE1 C:MET159 4.2 73.5 1.0 CE C:MET159 4.2 61.3 1.0 O5D C:NAD301 4.2 44.6 1.0 H51A C:NAD301 4.3 65.4 1.0 HO2N C:NAD301 4.4 54.4 1.0 O3D C:NAD301 4.4 44.9 1.0 HA C:PHE94 4.5 62.2 1.0 OAB C:68O302 4.5 50.0 1.0 HAE C:68O302 4.5 61.4 1.0 HAH C:68O302 4.5 61.2 1.0 H C:PHE94 4.6 59.0 1.0 C5B C:NAD301 4.6 54.5 1.0 HE3 C:MET159 4.6 73.5 1.0 HAJ C:68O302 4.8 59.8 1.0 CAM C:68O302 4.8 50.1 1.0 CA C:ALA196 4.8 53.0 1.0 C4D C:NAD301 4.8 45.3 1.0 CA C:PHE94 4.9 51.8 1.0 CAJ C:68O302 4.9 49.9 1.0 HZ1 C:LYS163 4.9 55.8 1.0 H51N C:NAD301 4.9 54.0 1.0 C5D C:NAD301 5.0 45.0 1.0

Fluorine binding site 8 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ C:F302 b:49.7 occ:1.00 FAC C:68O302 0.0 49.7 1.0 CAN C:68O302 1.3 49.8 1.0 CAJ C:68O302 2.3 49.9 1.0 CAP C:68O302 2.3 50.1 1.0 HAL C:68O302 2.4 60.0 1.0 HE1 C:PHE203 2.4 62.3 1.0 HAJ C:68O302 2.6 59.8 1.0 CAK C:68O302 2.8 50.0 1.0 CE1 C:PHE203 2.9 51.9 1.0 O7N C:NAD301 3.0 54.1 1.0 CB C:ALA197 3.0 52.9 1.0 HAC C:68O302 3.1 60.0 1.0 HD1 C:PHE203 3.2 63.4 1.0 CD1 C:PHE203 3.3 52.9 1.0 CA C:ALA197 3.3 53.2 1.0 C7N C:NAD301 3.5 53.4 1.0 CAA C:68O302 3.5 50.0 1.0 CAQ C:68O302 3.5 50.0 1.0 CAI C:68O302 3.6 50.1 1.0 CD1 C:ILE200 3.6 51.8 1.0 HAK C:68O302 3.7 60.0 1.0 CZ C:PHE203 3.8 52.3 1.0 HZ C:PHE203 4.0 62.8 1.0 N7N C:NAD301 4.0 53.8 1.0 O C:ILE192 4.0 53.1 1.0 H72N C:NAD301 4.0 64.6 1.0 CAM C:68O302 4.0 50.1 1.0 H C:ILE192 4.1 60.0 1.0 N C:ALA197 4.2 53.0 1.0 HAB C:68O302 4.2 60.0 1.0 HAA C:68O302 4.2 60.0 1.0 C3N C:NAD301 4.2 51.7 1.0 HA C:PRO191 4.4 58.7 1.0 CG C:PHE203 4.4 54.2 1.0 C C:ALA197 4.4 54.7 1.0 HAI C:68O302 4.5 60.2 1.0 O C:ALA197 4.5 55.0 1.0 HAH C:68O302 4.5 61.2 1.0 H4N C:NAD301 4.7 61.2 1.0 OAL C:68O302 4.7 50.1 1.0 H71N C:NAD301 4.7 64.6 1.0 CE2 C:PHE203 4.8 53.7 1.0 CG1 C:ILE200 4.8 53.1 1.0 HB3 C:PRO191 4.8 59.7 1.0 C4N C:NAD301 4.8 51.0 1.0 N C:ILE192 4.9 50.0 1.0 C2N C:NAD301 5.0 51.2 1.0 HB2 C:PHE203 5.0 66.5 1.0

Fluorine binding site 9 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:49.8 occ:1.00 FAD A:68O302 0.0 49.8 1.0 CAO A:68O302 1.3 48.7 1.0 CAR A:68O302 2.3 47.9 1.0 CAG A:68O302 2.4 48.4 1.0 H2D A:NAD301 2.5 58.1 1.0 OAL A:68O302 2.6 47.2 1.0 HAG A:68O302 2.6 58.1 1.0 HA3 A:GLY93 2.8 61.9 1.0 H3D A:NAD301 2.9 58.4 1.0 HO2N A:NAD301 3.1 58.2 1.0 C2D A:NAD301 3.2 48.5 1.0 H51N A:NAD301 3.2 58.0 1.0 C3D A:NAD301 3.5 48.6 1.0 CB A:ALA196 3.5 49.6 1.0 HAM A:68O302 3.5 53.4 1.0 CA A:GLY93 3.6 51.6 1.0 O A:GLY93 3.6 55.0 1.0 CAH A:68O302 3.6 48.2 1.0 CAE A:68O302 3.6 48.6 1.0 O2D A:NAD301 3.6 48.5 1.0 H52A A:NAD301 3.6 58.4 1.0 C A:GLY93 3.7 53.5 1.0 CAQ A:68O302 4.0 46.0 1.0 H A:GLY93 4.1 62.1 1.0 C5D A:NAD301 4.1 48.3 1.0 N A:GLY93 4.1 51.8 1.0 CAF A:68O302 4.1 48.6 1.0 C4D A:NAD301 4.3 48.3 1.0 HA2 A:GLY93 4.3 61.9 1.0 H52N A:NAD301 4.4 58.0 1.0 OAB A:68O302 4.5 44.5 1.0 N A:PHE94 4.5 53.6 1.0 HAH A:68O302 4.5 57.8 1.0 HAE A:68O302 4.5 58.4 1.0 O3D A:NAD301 4.6 49.3 1.0 C5B A:NAD301 4.6 48.6 1.0 H51A A:NAD301 4.6 58.4 1.0 C1D A:NAD301 4.6 48.4 1.0 O1N A:NAD301 4.7 57.7 1.0 CAM A:68O302 4.7 45.0 1.0 H2N A:NAD301 4.7 56.5 1.0 HA A:PHE94 4.7 66.7 1.0 HAJ A:68O302 4.8 54.4 1.0 O4D A:NAD301 4.8 48.3 1.0 CA A:ALA196 4.9 51.4 1.0 CAJ A:68O302 4.9 45.3 1.0 H A:PHE94 4.9 64.3 1.0 C A:ILE92 5.0 50.5 1.0

Fluorine binding site 10 out of 24 in the Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:46.1 occ:1.00 FAC A:68O302 0.0 46.1 1.0 CAN A:68O302 1.3 45.3 1.0 CAJ A:68O302 2.3 45.3 1.0 CAP A:68O302 2.3 44.5 1.0 HAL A:68O302 2.4 52.5 1.0 HE1 A:PHE203 2.4 57.9 1.0 HAJ A:68O302 2.6 54.4 1.0 CAK A:68O302 2.8 43.7 1.0 HAC A:68O302 2.9 52.0 1.0 HD1 A:PHE203 2.9 59.4 1.0 CE1 A:PHE203 2.9 48.2 1.0 CD1 A:PHE203 3.2 49.5 1.0 CB A:ALA197 3.3 51.4 1.0 O7N A:NAD301 3.3 47.3 1.0 CA A:ALA197 3.3 52.2 1.0 CAA A:68O302 3.4 43.4 1.0 CD1 A:ILE200 3.6 47.6 1.0 CAQ A:68O302 3.6 46.0 1.0 CAI A:68O302 3.6 44.6 1.0 C7N A:NAD301 3.7 47.3 1.0 HAK A:68O302 3.7 52.5 1.0 H72N A:NAD301 3.8 57.0 1.0 N7N A:NAD301 3.9 47.5 1.0 CZ A:PHE203 4.0 48.9 1.0 CAM A:68O302 4.1 45.0 1.0 HAB A:68O302 4.1 52.0 1.0 HAA A:68O302 4.1 52.0 1.0 O A:ILE192 4.3 47.4 1.0 N A:ALA197 4.3 51.8 1.0 O A:ALA197 4.3 54.9 1.0 HZ A:PHE203 4.3 58.6 1.0 H A:ILE192 4.3 54.0 1.0 C A:ALA197 4.3 53.6 1.0 HAH A:68O302 4.4 57.8 1.0 CG A:PHE203 4.4 51.4 1.0 HA A:PRO191 4.5 52.6 1.0 HAI A:68O302 4.5 53.6 1.0 H71N A:NAD301 4.5 57.0 1.0 C3N A:NAD301 4.5 47.1 1.0 CG1 A:ILE200 4.6 49.5 1.0 OAL A:68O302 4.7 47.2 1.0 CB A:ILE200 4.7 50.9 1.0 HB2 A:PHE203 4.9 63.5 1.0 HB3 A:PRO191 4.9 53.9 1.0 C A:ALA196 5.0 51.3 1.0

C.Neckles, S.Eltschkner, J.E.Cummings, M.Hirschbeck, F.Daryaee, G.R.Bommineni, Z.Zhang, L.Spagnuolo, W.Yu, S.Davoodi, R.A.Slayden, C.Kisker, P.J.Tonge. Rationalizing the Binding Kinetics For the Inhibition of the Burkholderia Pseudomallei FABI1 Enoyl-Acp Reductase. Biochemistry V. 56 1865 2017.
ISSN: ISSN 1520-4995
PubMed: 28225601
DOI: 10.1021/ACS.BIOCHEM.6B01048