Iron in PDB 4ar4: Neutron Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.38 Angstrom Resolution.

The binding sites of Iron atom in the Neutron Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.38 Angstrom Resolution. (pdb code 4ar4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Neutron Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.38 Angstrom Resolution., PDB code: 4ar4:

Iron binding site 1 out of 1 in the Neutron Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.38 Angstrom Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Neutron Crystallographic Structure of the Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin to 1.38 Angstrom Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1054 b:9.3 occ:1.00 SG A:CYS5 2.2 9.6 1.0 SG A:CYS41 2.3 16.3 1.0 SG A:CYS38 2.3 8.5 1.0 SG A:CYS8 2.5 9.0 1.0 D A:CYS41 3.2 15.9 0.9 H A:CYS41 3.2 15.9 0.1 CB A:CYS38 3.2 9.0 1.0 CB A:CYS5 3.2 8.2 1.0 DB3 A:CYS38 3.2 8.7 1.0 DB3 A:CYS5 3.2 10.5 1.0 DB2 A:CYS38 3.2 8.8 1.0 H A:CYS8 3.2 8.3 0.3 D A:CYS8 3.2 8.3 0.7 DB3 A:CYS8 3.3 11.9 1.0 DB2 A:CYS5 3.3 12.1 1.0 DB3 A:CYS41 3.4 12.6 1.0 CB A:CYS8 3.5 10.7 1.0 CB A:CYS41 3.5 11.3 1.0 DB A:ILE7 3.5 13.3 1.0 DB3 A:TYR10 3.6 9.0 1.0 DB A:ILE40 3.7 12.0 1.0 DB1 A:ALA43 3.7 12.1 1.0 N A:CYS41 3.9 12.3 1.0 N A:CYS8 3.9 10.4 1.0 H A:ALA43 4.0 10.9 0.2 D A:ALA43 4.0 10.9 0.8 DB3 A:ALA43 4.0 14.8 1.0 D A:TYR10 4.1 12.1 0.8 H A:TYR10 4.1 12.1 0.2 CA A:CYS41 4.2 12.2 1.0 CA A:CYS8 4.2 11.6 1.0 DB2 A:CYS41 4.3 13.6 1.0 DB2 A:CYS8 4.3 14.1 1.0 DB2 A:TYR10 4.3 10.8 1.0 CB A:ALA43 4.4 12.9 1.0 CB A:TYR10 4.4 10.3 1.0 H A:ILE40 4.5 13.7 0.2 D A:ILE40 4.5 13.7 0.8 H A:GLY42 4.5 12.8 0.3 D A:GLY42 4.5 12.8 0.7 CB A:ILE7 4.5 14.4 1.0 H A:ILE7 4.5 11.8 0.3 D A:ILE7 4.5 11.8 0.7 H A:GLY9 4.5 10.1 0.4 D A:GLY9 4.5 10.1 0.6 DZ A:PHE48 4.5 12.7 1.0 CA A:CYS5 4.6 8.3 1.0 CB A:ILE40 4.6 10.3 1.0 CA A:CYS38 4.7 7.6 1.0 N A:ALA43 4.8 9.2 1.0 N A:GLY42 4.8 9.9 1.0 C A:CYS41 4.9 10.7 1.0 DG23 A:ILE7 4.9 17.7 1.0 N A:TYR10 4.9 8.9 1.0 C A:ILE7 4.9 11.4 1.0 N A:GLY9 4.9 8.3 1.0 C A:CYS8 4.9 8.9 1.0 DA A:CYS5 4.9 9.3 1.0 C A:ILE40 4.9 15.1 1.0 DA A:CYS38 5.0 12.5 1.0 CZ A:PHE48 5.0 13.0 1.0

M.G.Cuypers, S.A.Mason, M.P.Blakeley, E.P.Mitchell, M.Haertlein, V.T.Forsyth. Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes. Angew.Chem.Int.Ed.Engl. V. 52 1022 2013.
ISSN: ISSN 1433-7851
PubMed: 23225503
DOI: 10.1002/ANIE.201207071