Iron in PDB 1b0y: Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A

The structure of Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A, PDB code: 1b0y was solved by G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 0.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.681, 41.675, 41.913, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 20.5

The binding sites of Iron atom in the Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A (pdb code 1b0y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A, PDB code: 1b0y:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe87 b:5.8 occ:1.00 FE1 A:SF487 0.0 5.8 1.0 S2 A:SF487 2.2 6.1 1.0 SG A:CYS63 2.3 6.4 1.0 S3 A:SF487 2.3 5.7 1.0 S4 A:SF487 2.3 6.3 1.0 FE3 A:SF487 2.7 6.1 1.0 FE4 A:SF487 2.7 5.7 1.0 FE2 A:SF487 2.7 5.9 1.0 CB A:CYS63 3.3 6.7 1.0 S1 A:SF487 3.9 6.3 1.0 CB A:PHE48 4.3 8.4 1.0 CA A:CYS63 4.4 6.2 1.0 SG A:CYS77 4.6 6.2 1.0 CG1 A:ILE71 4.6 7.1 1.0 CD2 A:PHE66 4.7 7.7 1.0 CE2 A:PHE66 4.7 8.9 1.0 SG A:CYS43 4.7 6.0 1.0 SG A:CYS46 4.7 6.8 1.0 C A:PHE48 4.9 7.5 1.0 CG2 A:ILE71 4.9 7.8 1.0

Iron binding site 2 out of 4 in the Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe87 b:5.9 occ:1.00 FE2 A:SF487 0.0 5.9 1.0 SG A:CYS77 2.3 6.2 1.0 S1 A:SF487 2.3 6.3 1.0 S4 A:SF487 2.3 6.3 1.0 S3 A:SF487 2.3 5.7 1.0 FE3 A:SF487 2.7 6.1 1.0 FE4 A:SF487 2.7 5.7 1.0 FE1 A:SF487 2.7 5.8 1.0 CB A:CYS77 3.2 5.8 1.0 N A:CYS77 3.6 5.9 1.0 S2 A:SF487 3.9 6.1 1.0 CA A:CYS77 3.9 6.0 1.0 O A:CYS77 4.3 6.5 1.0 C A:CYS77 4.3 5.8 1.0 N A:TRP80 4.4 7.0 1.0 C A:TRP76 4.5 5.8 1.0 SG A:CYS63 4.7 6.4 1.0 CA A:TRP80 4.7 6.8 1.0 C A:SER79 4.7 7.1 1.0 SG A:CYS43 4.8 6.0 1.0 SG A:CYS46 4.8 6.8 1.0 CB A:SER79 4.9 7.5 1.0 N A:SER79 4.9 6.9 1.0

Iron binding site 3 out of 4 in the Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe87 b:6.1 occ:1.00 FE3 A:SF487 0.0 6.1 1.0 S4 A:SF487 2.2 6.3 1.0 SG A:CYS46 2.3 6.8 1.0 S1 A:SF487 2.3 6.3 1.0 S2 A:SF487 2.3 6.1 1.0 FE2 A:SF487 2.7 5.9 1.0 FE1 A:SF487 2.7 5.8 1.0 FE4 A:SF487 2.7 5.7 1.0 CB A:CYS46 3.1 7.4 1.0 S3 A:SF487 3.9 5.7 1.0 CB A:PHE48 4.1 8.4 1.0 CA A:TRP80 4.2 6.8 1.0 CA A:CYS46 4.6 6.9 1.0 CD2 A:PHE48 4.6 12.2 1.0 N A:TRP80 4.6 7.0 1.0 CD1 A:TRP80 4.6 7.1 1.0 SG A:CYS63 4.6 6.4 1.0 N A:PHE48 4.7 7.8 1.0 SG A:CYS77 4.7 6.2 1.0 CA A:CYS43 4.7 6.0 1.0 SG A:CYS43 4.8 6.0 1.0 N A:MET49 4.8 7.7 1.0 CA A:PHE48 4.8 7.8 1.0 CB A:TRP80 4.9 7.0 1.0 CG A:PHE48 4.9 10.5 1.0 C A:SER79 4.9 7.1 1.0 C A:PHE48 5.0 7.5 1.0 O A:SER79 5.0 8.1 1.0

Iron binding site 4 out of 4 in the Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Mutant H42Q of Hipip From Chromatium Vinosum at 0.93A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe87 b:5.7 occ:1.00 FE4 A:SF487 0.0 5.7 1.0 S3 A:SF487 2.2 5.7 1.0 SG A:CYS43 2.3 6.0 1.0 S2 A:SF487 2.3 6.1 1.0 S1 A:SF487 2.3 6.3 1.0 FE2 A:SF487 2.7 5.9 1.0 FE1 A:SF487 2.7 5.8 1.0 FE3 A:SF487 2.7 6.1 1.0 CB A:CYS43 3.2 6.0 1.0 CA A:CYS43 3.6 6.0 1.0 S4 A:SF487 3.9 6.3 1.0 N A:CYS43 4.3 6.6 1.0 CG1 A:ILE71 4.4 7.1 1.0 N A:CYS77 4.6 5.9 1.0 CA A:TRP76 4.6 5.7 1.0 CD1 A:ILE71 4.7 8.1 1.0 C A:TRP76 4.7 5.8 1.0 CB A:CYS46 4.7 7.4 1.0 SG A:CYS46 4.8 6.8 1.0 N A:TRP76 4.8 6.2 1.0 SG A:CYS77 4.8 6.2 1.0 SG A:CYS63 4.8 6.4 1.0 CE1 A:TYR19 4.9 5.9 1.0 C A:CYS43 4.9 6.7 1.0 CB A:ILE71 4.9 6.2 1.0 CD1 A:TYR19 5.0 6.8 1.0 C A:GLY75 5.0 6.0 1.0 O A:GLY75 5.0 6.3 1.0

E.Parisini, F.Capozzi, P.Lubini, V.Lamzin, C.Luchinat, G.M.Sheldrick. Ab Initio Solution and Refinement of Two High-Potential Iron Protein Structures at Atomic Resolution. Acta Crystallogr.,Sect.D V. 55 1773 1999.
ISSN: ISSN 0907-4449
PubMed: 10531472
DOI: 10.1107/S0907444999009129