Fluorine in PDB 3dws: Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand

All present enzymatic activity of Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand:
1.3.3.3;

The structure of Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand, PDB code: 3dws was solved by I.Le Trong, E.A.Merritt, Structural Genomics Of Pathogenic Protozoaconsortium (Sgpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.075, 53.625, 65.599, 86.22, 77.37, 61.08
R / Rfree (%)	16.1 / 25.9

The binding sites of Fluorine atom in the Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand (pdb code 3dws). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand, PDB code: 3dws:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:59.6 occ:1.00 F14 A:FIC303 0.0 59.6 1.0 C5 A:FIC303 1.4 62.9 1.0 C6 A:FIC303 2.4 63.3 1.0 C4 A:FIC303 2.4 62.9 1.0 NE2 A:HIS107 2.6 22.2 1.0 OG A:SER93 2.9 19.3 0.5 CE1 A:HIS107 3.4 23.6 1.0 CH3 A:ACT302 3.7 47.0 1.0 C7 A:FIC303 3.7 62.5 1.0 C9 A:FIC303 3.7 62.9 1.0 CB A:ASN109 3.7 19.9 1.0 CD2 A:HIS107 3.7 22.4 1.0 CG A:ASN109 3.8 21.7 1.0 ND2 A:ASN109 3.9 23.5 1.0 O A:HOH347 4.0 26.5 1.0 CB A:SER93 4.1 18.5 0.5 CB A:SER93 4.1 18.7 0.5 C8 A:FIC303 4.2 62.1 1.0 OD1 A:ASN109 4.3 21.7 1.0 OG A:SER93 4.4 20.6 0.5 O A:HOH503 4.4 50.9 1.0 C A:ACT302 4.5 47.8 1.0 OXT A:ACT302 4.5 47.6 1.0 O A:ALA108 4.5 18.1 1.0 O A:HOH554 4.6 39.1 1.0 ND1 A:HIS107 4.6 22.9 1.0 CA A:SER93 4.8 18.4 1.0 CG A:HIS107 4.8 21.9 1.0 CA A:ASN109 4.8 19.2 1.0 C3 A:FIC303 4.9 63.0 1.0

Fluorine binding site 2 out of 2 in the Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:F304 b:62.0 occ:1.00 F14 B:FIC304 0.0 62.0 1.0 C5 B:FIC304 1.3 66.3 1.0 C6 B:FIC304 2.4 67.0 1.0 C4 B:FIC304 2.4 66.9 1.0 NE2 B:HIS107 2.8 20.3 1.0 OG B:SER93 3.5 17.8 0.5 CE1 B:HIS107 3.6 21.6 1.0 O B:HOH337 3.6 18.4 1.0 C9 B:FIC304 3.7 67.1 1.0 C7 B:FIC304 3.7 66.3 1.0 CH3 B:ACT302 3.8 49.2 1.0 CB B:ASN109 3.8 20.2 1.0 CD2 B:HIS107 3.8 19.1 1.0 CG B:ASN109 3.8 21.7 1.0 O B:HOH542 4.0 36.0 1.0 OD1 B:ASN109 4.1 25.4 1.0 C8 B:FIC304 4.2 65.9 1.0 ND2 B:ASN109 4.3 21.4 1.0 O B:ACT302 4.3 49.7 1.0 CB B:SER93 4.4 19.7 0.5 CB B:SER93 4.5 19.4 0.5 C B:ACT302 4.5 49.9 1.0 ND1 B:HIS107 4.8 19.0 1.0 CG B:HIS107 4.9 18.3 1.0 C3 B:FIC304 4.9 67.7 1.0 O B:ALA108 4.9 15.6 1.0

E.A.Merritt, I.Le Trong, E.T.Larson, S.Shibata, Z.Zhang, L.Anderson, J.Ross, W.Deng, C.L.M.J.Verlinde, F.S.Buckner, W.C.Van Voorhis, W.G.J.Hol, E.Fan. Leishmania Major Coproporphyrinogen III Oxidase with Bound Ligand To Be Published.