Fluorine in PDB 1xvd: Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure

All present enzymatic activity of Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure:
1.14.13.25;

The structure of Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure, PDB code: 1xvd was solved by M.H.Sazinsky, S.J.Lippard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.94 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.182, 171.497, 221.304, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 22.9

The structure of Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Fluorine atom in the Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure (pdb code 1xvd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure, PDB code: 1xvd:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:F2666 b:39.8 occ:1.00 F1 A:FPN2666 0.0 39.8 1.0 C4 A:FPN2666 1.3 34.5 1.0 C5 A:FPN2666 2.4 33.7 1.0 C3 A:FPN2666 2.4 36.2 1.0 CE A:MET288 3.2 37.8 1.0 C2 A:FPN2666 3.7 33.5 1.0 C6 A:FPN2666 3.7 32.1 1.0 CD2 A:LEU289 3.8 30.2 1.0 CD1 A:LEU180 3.9 28.2 1.0 SD A:MET288 4.1 39.8 1.0 C1 A:FPN2666 4.1 33.0 1.0 CG A:MET288 4.2 36.5 1.0 CE1 A:PHE359 4.3 21.1 1.0 CD2 A:LEU361 4.4 27.5 1.0 CZ A:PHE359 4.6 20.9 1.0 CB A:ALA350 4.7 32.6 1.0 CG A:LEU289 4.7 33.6 1.0 CE1 A:TYR347 4.9 29.4 1.0 CD1 A:TYR347 4.9 29.6 1.0

Fluorine binding site 2 out of 2 in the Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:F2667 b:41.3 occ:1.00 F1 B:FPN2667 0.0 41.3 1.0 C4 B:FPN2667 1.3 37.6 1.0 C3 B:FPN2667 2.4 34.8 1.0 C5 B:FPN2667 2.4 36.4 1.0 CE B:MET288 3.4 26.8 1.0 C2 B:FPN2667 3.7 36.0 1.0 C6 B:FPN2667 3.7 35.1 1.0 CD1 B:LEU180 3.7 25.7 1.0 CD2 B:LEU289 4.0 25.5 1.0 SD B:MET288 4.1 30.1 1.0 C1 B:FPN2667 4.1 34.7 1.0 CG B:MET288 4.2 31.0 1.0 CD2 B:LEU361 4.4 22.6 1.0 CE1 B:PHE359 4.4 23.4 1.0 CB B:ALA350 4.5 23.1 1.0 CZ B:PHE359 4.6 25.3 1.0 CE1 B:TYR347 4.8 25.6 1.0 CD1 B:TYR347 4.8 25.1 1.0 CG B:LEU289 5.0 27.1 1.0

M.H.Sazinsky, S.J.Lippard. Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase From Methylococcus Capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc. V. 127 5814 2005.
ISSN: ISSN 0002-7863
PubMed: 15839679
DOI: 10.1021/JA044099B