Fluorine in PDB 1bs3: P.Shermanii Sod(Fe+3) Fluoride

All present enzymatic activity of P.Shermanii Sod(Fe+3) Fluoride:
1.15.1.1;

The structure of P.Shermanii Sod(Fe+3) Fluoride, PDB code: 1bs3 was solved by M.Schmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.00 / 1.55
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	79.420, 85.280, 108.400, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.6

The structure of P.Shermanii Sod(Fe+3) Fluoride also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Fluorine atom in the P.Shermanii Sod(Fe+3) Fluoride (pdb code 1bs3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the P.Shermanii Sod(Fe+3) Fluoride, PDB code: 1bs3:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the P.Shermanii Sod(Fe+3) Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of P.Shermanii Sod(Fe+3) Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:11.9 occ:0.70 FE A:FE202 1.9 8.3 1.0 NE2 A:HIS75 2.1 8.1 1.0 CE1 A:HIS75 2.6 8.3 1.0 NE2 A:HIS165 2.7 5.9 1.0 O A:HOH204 2.8 8.6 1.0 NE2 A:HIS27 3.0 8.2 1.0 CE1 A:HIS165 3.0 6.6 1.0 OH A:TYR35 3.1 18.2 1.0 CD2 A:HIS75 3.1 6.4 1.0 CE2 A:TYR35 3.2 14.2 1.0 CD2 A:HIS27 3.3 7.6 1.0 CZ A:TYR35 3.6 15.8 1.0 ND1 A:HIS75 3.7 8.2 1.0 OD2 A:ASP161 3.7 6.8 1.0 CB A:HIS31 3.7 7.8 1.0 CD2 A:HIS165 3.8 6.9 1.0 CG A:HIS75 4.0 8.3 1.0 ND1 A:HIS165 4.2 8.8 1.0 CE1 A:HIS27 4.3 8.0 1.0 CG A:HIS31 4.4 10.7 1.0 CD2 A:TYR35 4.4 11.4 1.0 NE2 A:HIS146 4.5 8.4 1.0 CG A:HIS165 4.6 5.8 1.0 CG A:HIS27 4.6 7.6 1.0 O A:HOH342 4.6 37.8 1.0 CG A:ASP161 4.8 7.4 1.0 ND1 A:HIS31 4.8 12.1 1.0 C A:HIS31 4.8 9.1 1.0 CA A:HIS31 4.9 9.5 1.0 O A:HIS27 4.9 8.6 1.0 N A:HIS32 4.9 8.2 1.0 CE1 A:TYR35 4.9 14.8 1.0 CE1 A:HIS146 5.0 4.6 1.0

Fluorine binding site 2 out of 2 in the P.Shermanii Sod(Fe+3) Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of P.Shermanii Sod(Fe+3) Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ B:F203 b:9.6 occ:0.69 FE B:FE202 1.8 7.3 1.0 NE2 B:HIS75 2.3 8.2 1.0 NE2 B:HIS165 2.4 7.3 1.0 O B:HOH204 2.6 6.6 1.0 CE1 B:HIS165 2.8 6.1 1.0 CE1 B:HIS75 2.8 5.7 1.0 NE2 B:HIS27 3.0 6.1 1.0 OH B:TYR35 3.1 20.0 1.0 CD2 B:HIS27 3.3 8.2 1.0 CD2 B:HIS75 3.3 5.1 1.0 CE2 B:TYR35 3.4 13.5 1.0 CD2 B:HIS165 3.6 5.8 1.0 OD2 B:ASP161 3.6 7.3 1.0 CB B:HIS31 3.7 8.9 1.0 CZ B:TYR35 3.7 14.9 1.0 ND1 B:HIS75 4.0 6.5 1.0 ND1 B:HIS165 4.0 6.9 1.0 CG B:HIS75 4.2 5.7 1.0 CG B:HIS31 4.3 11.4 1.0 CE1 B:HIS27 4.3 7.9 1.0 O B:HOH379 4.3 49.2 1.0 CG B:HIS165 4.4 5.9 1.0 NE2 B:HIS146 4.5 7.6 1.0 CD2 B:TYR35 4.6 11.8 1.0 CG B:HIS27 4.7 6.4 1.0 CG B:ASP161 4.7 9.0 1.0 ND1 B:HIS31 4.7 14.5 1.0 C B:HIS31 4.9 8.1 1.0 CA B:HIS31 4.9 8.8 1.0 OD1 B:ASP161 5.0 8.0 1.0

M.Schmidt, M.Schmidt. N/A N/A.
ISSN: ISSN 0014-2956
PubMed: 10231372
DOI: 10.1046/J.1432-1327.1999.00359.X