Iron in PDB 1h33: Oxidised Soxax Complex From Rhodovulum Sulfidophilum

The structure of Oxidised Soxax Complex From Rhodovulum Sulfidophilum, PDB code: 1h33 was solved by V.A.Bamford, S.Bruno, T.Rasmussen, C.Appia-Ayme, M.R.Cheesman, B.C.Berks, A.M.Hemmings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.0 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.353, 87.341, 71.654, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.7

The binding sites of Iron atom in the Oxidised Soxax Complex From Rhodovulum Sulfidophilum (pdb code 1h33). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Oxidised Soxax Complex From Rhodovulum Sulfidophilum, PDB code: 1h33:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Oxidised Soxax Complex From Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxidised Soxax Complex From Rhodovulum Sulfidophilum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1262 b:14.8 occ:1.00 FE A:HEC1262 0.0 14.8 1.0 NA A:HEC1262 2.0 14.5 1.0 NB A:HEC1262 2.0 13.7 1.0 ND A:HEC1262 2.0 16.6 1.0 NC A:HEC1262 2.0 13.5 1.0 NE2 A:HIS80 2.1 13.1 1.0 SG A:CYS114 2.4 21.4 1.0 CE1 A:HIS80 3.0 12.8 1.0 C4A A:HEC1262 3.0 14.5 1.0 C4D A:HEC1262 3.0 16.9 1.0 C1D A:HEC1262 3.0 16.1 1.0 C1A A:HEC1262 3.0 14.6 1.0 C1B A:HEC1262 3.1 14.3 1.0 C4C A:HEC1262 3.1 16.9 1.0 C1C A:HEC1262 3.1 15.6 1.0 C4B A:HEC1262 3.1 12.5 1.0 CD2 A:HIS80 3.1 13.4 1.0 CHD A:HEC1262 3.4 16.7 1.0 CHB A:HEC1262 3.4 14.3 1.0 CHA A:HEC1262 3.4 15.0 1.0 CHC A:HEC1262 3.5 13.5 1.0 CB A:CYS114 3.6 14.9 1.0 ND1 A:HIS80 4.1 9.8 1.0 CG A:HIS80 4.2 13.4 1.0 C2A A:HEC1262 4.2 13.4 1.0 C3A A:HEC1262 4.3 13.8 1.0 C3C A:HEC1262 4.3 17.2 1.0 C3D A:HEC1262 4.3 19.9 1.0 C2B A:HEC1262 4.3 12.2 1.0 C2C A:HEC1262 4.3 15.4 1.0 C2D A:HEC1262 4.3 16.7 1.0 C3B A:HEC1262 4.3 12.1 1.0 O A:HOH2130 4.7 18.4 1.0 CA A:CYS114 4.9 14.7 1.0

Iron binding site 2 out of 3 in the Oxidised Soxax Complex From Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Oxidised Soxax Complex From Rhodovulum Sulfidophilum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1263 b:8.6 occ:1.00 FE A:HEC1263 0.0 8.6 1.0 NB A:HEC1263 2.0 7.9 1.0 ND A:HEC1263 2.0 9.9 1.0 NC A:HEC1263 2.0 9.0 1.0 NA A:HEC1263 2.0 6.6 1.0 NE2 A:HIS181 2.1 10.5 1.0 SD A:CSS222 2.4 17.3 1.0 CE1 A:HIS181 3.0 9.3 1.0 C1B A:HEC1263 3.0 10.3 1.0 C4C A:HEC1263 3.0 11.5 1.0 C1D A:HEC1263 3.0 10.9 1.0 C4A A:HEC1263 3.0 10.0 1.0 C1A A:HEC1263 3.0 9.0 1.0 C4D A:HEC1263 3.0 9.6 1.0 C4B A:HEC1263 3.1 8.6 1.0 C1C A:HEC1263 3.1 8.6 1.0 CD2 A:HIS181 3.1 7.1 1.0 CHD A:HEC1263 3.4 9.5 1.0 CHB A:HEC1263 3.4 9.3 1.0 CHA A:HEC1263 3.4 8.9 1.0 CHC A:HEC1263 3.4 7.4 1.0 SG A:CSS222 3.5 21.9 1.0 ND1 A:HIS181 4.1 8.9 1.0 CG A:HIS181 4.2 7.7 1.0 C2B A:HEC1263 4.3 8.4 1.0 C2D A:HEC1263 4.3 10.7 1.0 C3B A:HEC1263 4.3 7.7 1.0 C3D A:HEC1263 4.3 9.0 1.0 C2A A:HEC1263 4.3 7.2 1.0 C3C A:HEC1263 4.3 7.7 1.0 C3A A:HEC1263 4.3 7.8 1.0 C2C A:HEC1263 4.3 7.2 1.0 CB A:CSS222 4.4 16.3 1.0 O A:HOH2094 4.8 38.8 1.0

Iron binding site 3 out of 3 in the Oxidised Soxax Complex From Rhodovulum Sulfidophilum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Oxidised Soxax Complex From Rhodovulum Sulfidophilum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1138 b:13.2 occ:1.00 FE B:HEC1138 0.0 13.2 1.0 NB B:HEC1138 1.9 11.1 1.0 ND B:HEC1138 2.0 16.9 1.0 NA B:HEC1138 2.0 13.0 1.0 NC B:HEC1138 2.0 12.3 1.0 NE2 B:HIS46 2.1 11.8 1.0 SD B:MET92 2.3 15.7 1.0 CE1 B:HIS46 3.0 11.6 1.0 C1B B:HEC1138 3.0 11.9 1.0 C4A B:HEC1138 3.0 17.0 1.0 C4C B:HEC1138 3.0 13.8 1.0 C1D B:HEC1138 3.0 15.7 1.0 C4D B:HEC1138 3.0 16.9 1.0 C1A B:HEC1138 3.0 17.6 1.0 C4B B:HEC1138 3.1 10.4 1.0 C1C B:HEC1138 3.1 11.7 1.0 CD2 B:HIS46 3.1 10.6 1.0 CE B:MET92 3.4 11.7 1.0 CHD B:HEC1138 3.4 15.1 1.0 CHB B:HEC1138 3.4 13.1 1.0 CHA B:HEC1138 3.4 18.1 1.0 CHC B:HEC1138 3.4 9.6 1.0 CG B:MET92 3.5 10.6 1.0 CB B:MET92 3.9 13.5 1.0 ND1 B:HIS46 4.1 14.1 1.0 CG B:HIS46 4.2 10.7 1.0 C2B B:HEC1138 4.2 15.0 1.0 C3B B:HEC1138 4.3 15.2 1.0 C3C B:HEC1138 4.3 9.7 1.0 C3A B:HEC1138 4.3 16.0 1.0 C2A B:HEC1138 4.3 18.2 1.0 C3D B:HEC1138 4.3 17.2 1.0 C2C B:HEC1138 4.3 11.4 1.0 C2D B:HEC1138 4.3 17.7 1.0

V.A.Bamford, S.Bruno, T.Rasmussen, C.Appia-Ayme, M.R.Cheesman, B.C.Berks, A.M.Hemmings. Structural Basis For the Oxidation of Thiosulfate By A Sulfur Cycle Enzyme Embo J. V. 21 5599 2002.
ISSN: ISSN 0261-4189
PubMed: 12411478
DOI: 10.1093/EMBOJ/CDF566