Fluorine in PDB 6lkd: In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor

All present enzymatic activity of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor:
1.14.13.9;

The structure of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor, PDB code: 6lkd was solved by S.Mimasu, H.Yamagishi, M.Kiyohara, K.Kakefuda, T.Okuda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.25 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.970, 63.430, 152.420, 90.00, 113.52, 90.00
R / Rfree (%)	22 / 26.2

The structure of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Fluorine atom in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor (pdb code 6lkd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor, PDB code: 6lkd:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:40.6 occ:1.00 F21 A:EGO1002 0.0 40.6 1.0 C26 A:EGO1002 1.3 40.5 1.0 C27 A:EGO1002 2.3 38.0 1.0 C25 A:EGO1002 2.4 43.4 1.0 CL1 A:EGO1002 2.9 47.3 1.0 CE A:MET367 3.5 57.0 1.0 CG2 A:ILE215 3.6 51.3 1.0 C28 A:EGO1002 3.6 37.0 1.0 C24 A:EGO1002 3.6 41.8 1.0 CG2 A:ILE224 3.7 43.2 1.0 CD1 A:ILE215 3.9 56.9 1.0 SD A:MET367 3.9 59.0 1.0 C23 A:EGO1002 4.1 38.8 1.0 CG1 A:ILE215 4.2 55.4 1.0 C1 A:EGO1002 4.3 47.3 1.0 C2 A:EGO1002 4.4 51.0 1.0 CE2 A:PHE376 4.5 60.4 1.0 CB A:ILE215 4.5 52.8 1.0 C17 A:EGO1002 4.7 41.6 1.0 C29 A:EGO1002 4.8 35.4 1.0 C9 A:EGO1002 4.8 66.2 1.0 C11 A:EGO1002 4.9 53.2 1.0 CZ A:PHE376 4.9 59.1 1.0

Fluorine binding site 2 out of 2 in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F1002 b:32.1 occ:1.00 F21 B:EGO1002 0.0 32.1 1.0 C26 B:EGO1002 1.3 30.8 1.0 C25 B:EGO1002 2.3 30.5 1.0 C27 B:EGO1002 2.3 30.7 1.0 CL1 B:EGO1002 2.8 35.0 1.0 CG2 B:ILE224 3.3 23.9 1.0 CD1 B:ILE215 3.5 34.8 1.0 C28 B:EGO1002 3.6 30.4 1.0 C24 B:EGO1002 3.6 30.4 1.0 CE B:MET367 3.8 67.8 1.0 CG2 B:ILE215 3.8 33.9 1.0 SD B:MET367 3.9 69.6 1.0 CG1 B:ILE215 4.0 34.1 1.0 C23 B:EGO1002 4.0 31.7 1.0 CB B:ILE215 4.5 33.3 1.0 C1 B:EGO1002 4.6 46.1 1.0 C29 B:EGO1002 4.7 30.6 1.0 C17 B:EGO1002 4.8 40.7 1.0 CE2 B:PHE376 4.8 56.0 1.0 C2 B:EGO1002 4.8 50.9 1.0 CB B:ILE224 4.8 24.2 1.0

S.Mimasu, S.Mimasu, H.Yamagishi, M.Kiyohara, K.Kakefuda, T.Okuda. N/A N/A.