Iron in PDB 3ss2: Neutron Structure of Perdeuterated Rubredoxin Using 48 Hours 3RD Pass Data

The binding sites of Iron atom in the Neutron Structure of Perdeuterated Rubredoxin Using 48 Hours 3RD Pass Data (pdb code 3ss2). 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 Using 48 Hours 3RD Pass Data, PDB code: 3ss2:

Iron binding site 1 out of 1 in the Neutron Structure of Perdeuterated Rubredoxin Using 48 Hours 3RD Pass Data


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 Using 48 Hours 3RD Pass Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe54 b:6.8 occ:1.00 SG A:CYS5 2.2 8.6 1.0 SG A:CYS38 2.4 4.8 1.0 SG A:CYS8 2.4 12.2 1.0 SG A:CYS41 2.4 8.2 1.0 DB3 A:CYS8 3.0 13.1 1.0 DB3 A:CYS41 3.1 12.9 1.0 D A:CYS8 3.1 13.3 1.0 D A:CYS41 3.1 13.3 1.0 DB3 A:CYS5 3.1 11.1 1.0 CB A:CYS5 3.2 7.9 1.0 DB3 A:CYS38 3.2 11.1 1.0 CB A:CYS8 3.3 12.3 1.0 CB A:CYS38 3.3 4.2 1.0 CB A:CYS41 3.3 8.6 1.0 DB2 A:CYS38 3.3 11.1 1.0 DB2 A:CYS5 3.3 11.1 1.0 DB A:ILE7 3.4 15.3 1.0 DB A:ILE40 3.5 13.7 1.0 DB3 A:TYR10 3.6 12.0 1.0 N A:CYS8 3.7 12.6 1.0 N A:CYS41 3.8 9.0 1.0 DB3 A:ALA43 3.9 14.5 1.0 D A:ALA43 4.0 12.4 1.0 CA A:CYS8 4.0 12.3 1.0 CA A:CYS41 4.0 8.8 1.0 DB2 A:CYS8 4.1 13.1 1.0 H A:TYR10 4.1 11.7 0.8 D A:TYR10 4.1 11.7 0.2 DB2 A:CYS41 4.1 12.9 1.0 DB2 A:ALA43 4.2 14.5 1.0 DB2 A:TYR10 4.3 12.0 1.0 CB A:ILE7 4.3 11.4 1.0 CB A:TYR10 4.4 8.4 1.0 CB A:ALA43 4.5 9.7 1.0 D A:ILE7 4.5 13.7 1.0 D A:GLY9 4.5 12.4 1.0 CB A:ILE40 4.5 12.1 1.0 CA A:CYS5 4.5 7.7 1.0 D A:GLY42 4.5 12.2 1.0 D A:ILE40 4.5 12.9 1.0 DZ A:PHE48 4.7 13.5 1.0 C A:CYS41 4.7 8.3 1.0 CA A:CYS38 4.7 4.8 1.0 C A:ILE7 4.7 10.0 1.0 DG22 A:ILE40 4.7 17.8 1.0 DG22 A:ILE7 4.7 19.0 0.0 C A:CYS8 4.8 11.5 1.0 N A:GLY42 4.8 4.5 1.0 N A:GLY9 4.8 11.2 1.0 DA A:CYS8 4.8 13.1 1.0 C A:ILE40 4.8 12.6 1.0 N A:ALA43 4.8 7.6 1.0 N A:TYR10 4.9 8.1 1.0 DA A:CYS41 4.9 13.2 1.0 DA A:CYS5 4.9 10.9 1.0 C A:CYS5 4.9 8.5 1.0 DD2 A:TYR10 4.9 12.2 1.0 CA A:ILE7 4.9 11.0 1.0 O A:CYS5 5.0 9.2 1.0 DG13 A:ILE7 5.0 19.4 1.0 CG2 A:ILE7 5.0 15.0 1.0

P.Munshi, S.L.Chung, M.P.Blakeley, K.L.Weiss, D.A.Myles, F.Meilleur. Rapid Visualization of Hydrogen Positions in Protein Neutron Crystallographic Structures. Acta Crystallogr.,Sect.D V. 68 35 2012.
ISSN: ISSN 0907-4449
PubMed: 22194331
DOI: 10.1107/S0907444911048402