Iron in PDB 4k9f: Neutron Structure of Perdeuterated Rubredoxin Refined Against 1.75 Resolution Data Collected on the New Imagine Instrument at Hfir, Ornl

The binding sites of Iron atom in the Neutron Structure of Perdeuterated Rubredoxin Refined Against 1.75 Resolution Data Collected on the New Imagine Instrument at Hfir, Ornl (pdb code 4k9f). 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 Structure of Perdeuterated Rubredoxin Refined Against 1.75 Resolution Data Collected on the New Imagine Instrument at Hfir, Ornl, PDB code: 4k9f:

Iron binding site 1 out of 1 in the Neutron Structure of Perdeuterated Rubredoxin Refined Against 1.75 Resolution Data Collected on the New Imagine Instrument at Hfir, Ornl


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Neutron Structure of Perdeuterated Rubredoxin Refined Against 1.75 Resolution Data Collected on the New Imagine Instrument at Hfir, Ornl within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:14.7 occ:1.00 SG A:CYS8 2.1 17.1 1.0 SG A:CYS38 2.1 16.9 1.0 SG A:CYS41 2.2 17.1 1.0 SG A:CYS5 2.4 17.5 1.0 D A:CYS41 2.9 16.6 1.0 DB2 A:CYS5 3.1 15.3 1.0 DB2 A:CYS41 3.2 18.7 1.0 DB2 A:CYS8 3.2 16.8 1.0 DB2 A:CYS38 3.2 17.4 1.0 CB A:CYS38 3.2 17.1 1.0 D A:CYS8 3.2 15.0 1.0 CB A:CYS5 3.2 14.9 1.0 CB A:CYS8 3.3 17.2 1.0 CB A:CYS41 3.3 17.3 1.0 DB3 A:CYS38 3.3 15.9 1.0 DB3 A:TYR10 3.4 15.6 1.0 DB3 A:CYS5 3.4 17.4 1.0 DB A:ILE40 3.5 18.5 1.0 DB A:ILE7 3.5 16.1 1.0 N A:CYS41 3.6 17.3 1.0 N A:CYS8 3.8 16.7 1.0 D A:TYR10 3.9 15.9 0.0 H A:TYR10 3.9 15.9 1.0 CA A:CYS41 4.0 17.3 1.0 DB1 A:ALA43 4.0 17.0 1.0 DB3 A:CYS8 4.0 16.4 1.0 H A:ALA43 4.0 17.2 0.6 D A:ALA43 4.0 17.2 0.4 DB3 A:CYS41 4.1 15.4 1.0 CA A:CYS8 4.1 16.0 1.0 DB2 A:TYR10 4.1 14.8 1.0 CB A:TYR10 4.2 15.6 1.0 D A:ILE40 4.3 18.3 0.5 H A:ILE40 4.3 18.3 0.5 DB3 A:ALA43 4.3 17.8 1.0 D A:GLY42 4.4 16.9 1.0 CB A:ILE40 4.5 17.9 1.0 CB A:ILE7 4.5 17.4 1.0 D A:GLY9 4.5 17.5 1.0 CA A:CYS38 4.6 17.3 1.0 DZ A:PHE48 4.6 17.5 1.0 CB A:ALA43 4.6 18.0 1.0 CA A:CYS5 4.6 16.6 1.0 C A:CYS41 4.7 15.1 1.0 C A:ILE40 4.7 18.4 1.0 D A:ILE7 4.7 18.1 1.0 N A:TYR10 4.7 15.0 1.0 C A:CYS8 4.8 16.8 1.0 N A:GLY42 4.8 15.4 1.0 DA A:CYS41 4.8 16.8 1.0 C A:ILE7 4.8 17.0 1.0 N A:GLY9 4.8 17.3 1.0 DD2 A:TYR10 4.8 16.6 1.0 N A:ALA43 4.8 16.0 1.0 DA A:CYS38 4.9 17.2 1.0 DA A:CYS8 4.9 16.1 1.0 N A:ILE40 4.9 17.5 1.0 CA A:ILE40 4.9 17.8 1.0 C A:CYS38 5.0 16.8 1.0 DG22 A:ILE7 5.0 20.1 1.0 O A:CYS5 5.0 16.7 1.0 DG22 A:ILE40 5.0 16.9 1.0

F.Meilleur, P.Munshi, L.Robertson, A.D.Stoica, L.Crow, A.Kovalevsky, T.Koritsanszky, B.C.Chakoumakos, R.Blessing, D.A.Myles. The Imagine Instrument: First Neutron Protein Structure and New Capabilities For Neutron Macromolecular Crystallography. Acta Crystallogr.,Sect.D V. 69 2157 2013.
ISSN: ISSN 0907-4449
PubMed: 24100333
DOI: 10.1107/S0907444913019604