Iron 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:

Fluorine

(F)

2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of P.Shermanii Sod(Fe+3) Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:8.3 occ:1.00 OD2 A:ASP161 1.8 6.8 1.0 F A:F203 1.9 11.9 0.7 NE2 A:HIS165 2.1 5.9 1.0 O A:HOH204 2.1 8.6 1.0 NE2 A:HIS75 2.1 8.1 1.0 NE2 A:HIS27 2.2 8.2 1.0 CG A:ASP161 2.9 7.4 1.0 CE1 A:HIS165 2.9 6.6 1.0 CE1 A:HIS75 3.0 8.3 1.0 CE1 A:HIS27 3.1 8.0 1.0 CD2 A:HIS27 3.1 7.6 1.0 CD2 A:HIS165 3.2 6.9 1.0 CD2 A:HIS75 3.2 6.4 1.0 OD1 A:ASP161 3.4 9.6 1.0 ND1 A:HIS165 4.1 8.8 1.0 CB A:ASP161 4.2 6.7 1.0 ND1 A:HIS75 4.2 8.2 1.0 ND1 A:HIS27 4.2 7.5 1.0 CG A:HIS165 4.3 5.8 1.0 CG A:HIS27 4.3 7.6 1.0 CG A:HIS75 4.3 8.3 1.0 CZ2 A:TRP126 4.4 7.5 1.0 OH A:TYR35 4.5 18.2 1.0 CB A:TRP163 4.6 5.1 1.0 CH2 A:TRP126 4.7 7.3 1.0 CG A:TRP163 4.8 5.1 1.0 NE2 A:HIS146 4.9 8.4 1.0 CE2 A:TYR35 4.9 14.2 1.0 CB A:ALA166 4.9 7.2 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of P.Shermanii Sod(Fe+3) Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:7.3 occ:1.00 F B:F203 1.8 9.6 0.7 OD2 B:ASP161 1.8 7.3 1.0 O B:HOH204 2.1 6.6 1.0 NE2 B:HIS27 2.1 6.1 1.0 NE2 B:HIS165 2.2 7.3 1.0 NE2 B:HIS75 2.2 8.2 1.0 CG B:ASP161 2.9 9.0 1.0 CE1 B:HIS165 3.1 6.1 1.0 CE1 B:HIS75 3.1 5.7 1.0 CE1 B:HIS27 3.1 7.9 1.0 CD2 B:HIS27 3.1 8.2 1.0 CD2 B:HIS165 3.2 5.8 1.0 CD2 B:HIS75 3.2 5.1 1.0 OD1 B:ASP161 3.4 8.0 1.0 CB B:ASP161 4.2 7.0 1.0 ND1 B:HIS27 4.2 6.9 1.0 ND1 B:HIS165 4.2 6.9 1.0 ND1 B:HIS75 4.2 6.5 1.0 CG B:HIS27 4.3 6.4 1.0 CG B:HIS165 4.3 5.9 1.0 CG B:HIS75 4.3 5.7 1.0 CZ2 B:TRP126 4.5 8.3 1.0 OH B:TYR35 4.6 20.0 1.0 CB B:TRP163 4.6 6.3 1.0 CH2 B:TRP126 4.7 6.6 1.0 CG B:TRP163 4.8 7.2 1.0 CB B:ALA166 4.9 9.5 1.0 NE2 B:HIS146 4.9 7.6 1.0 CE2 B:TYR35 5.0 13.5 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