Iron in PDB 1yjj: Rdc-Refined Solution uc(Nmr) Structure of Oxidized Putidaredoxin

The binding sites of Iron atom in the Rdc-Refined Solution uc(Nmr) Structure of Oxidized Putidaredoxin (pdb code 1yjj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Rdc-Refined Solution uc(Nmr) Structure of Oxidized Putidaredoxin, PDB code: 1yjj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Rdc-Refined Solution uc(Nmr) Structure of Oxidized Putidaredoxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rdc-Refined Solution uc(Nmr) Structure of Oxidized Putidaredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:0.0 occ:1.00 FE1 A:FES107 0.0 0.0 1.0 SG A:CYS45 2.2 0.0 1.0 SG A:CYS39 2.2 0.0 1.0 S2 A:FES107 2.2 0.0 1.0 S1 A:FES107 2.2 0.0 1.0 FE2 A:FES107 2.7 0.0 1.0 H A:CYS45 3.0 0.0 1.0 H A:SER44 3.0 0.0 1.0 H A:CYS39 3.0 0.0 1.0 HB3 A:CYS39 3.3 0.0 1.0 CB A:CYS45 3.4 0.0 1.0 CB A:CYS39 3.4 0.0 1.0 HB3 A:CYS45 3.4 0.0 1.0 N A:CYS45 3.5 0.0 1.0 H A:GLY41 3.6 0.0 1.0 N A:CYS39 3.8 0.0 1.0 CA A:CYS45 3.8 0.0 1.0 HA A:ALA43 3.9 0.0 1.0 H A:ALA43 3.9 0.0 1.0 N A:SER44 3.9 0.0 1.0 C A:CYS45 4.0 0.0 1.0 H A:THR47 4.0 0.0 1.0 O A:CYS45 4.1 0.0 1.0 CA A:CYS39 4.1 0.0 1.0 HB2 A:CYS39 4.2 0.0 1.0 HA2 A:GLY41 4.2 0.0 1.0 SG A:CYS86 4.3 0.0 1.0 SG A:CYS48 4.3 0.0 1.0 HB2 A:CYS45 4.3 0.0 1.0 H A:CYS48 4.3 0.0 1.0 H A:SER42 4.3 0.0 1.0 H A:ASP38 4.4 0.0 1.0 HB3 A:ASP38 4.4 0.0 1.0 N A:ALA43 4.4 0.0 1.0 C A:SER44 4.4 0.0 1.0 H A:GLY40 4.4 0.0 1.0 N A:GLY41 4.4 0.0 1.0 CA A:ALA43 4.5 0.0 1.0 HB A:THR47 4.5 0.0 1.0 N A:ALA46 4.6 0.0 1.0 C A:CYS39 4.6 0.0 1.0 HB3 A:CYS48 4.7 0.0 1.0 C A:ALA43 4.7 0.0 1.0 N A:GLY40 4.7 0.0 1.0 N A:ASP38 4.8 0.0 1.0 CA A:GLY41 4.8 0.0 1.0 CA A:SER44 4.8 0.0 1.0 HA2 A:GLY37 4.8 0.0 1.0 HB3 A:CYS86 4.8 0.0 1.0 HA A:CYS45 4.9 0.0 1.0 N A:THR47 4.9 0.0 1.0 C A:ASP38 4.9 0.0 1.0 N A:SER42 4.9 0.0 1.0 H A:ALA46 4.9 0.0 1.0

Iron binding site 2 out of 2 in the Rdc-Refined Solution uc(Nmr) Structure of Oxidized Putidaredoxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rdc-Refined Solution uc(Nmr) Structure of Oxidized Putidaredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe107 b:0.0 occ:1.00 FE2 A:FES107 0.0 0.0 1.0 SG A:CYS86 2.2 0.0 1.0 SG A:CYS48 2.2 0.0 1.0 S1 A:FES107 2.2 0.0 1.0 S2 A:FES107 2.2 0.0 1.0 FE1 A:FES107 2.7 0.0 1.0 HB3 A:CYS86 3.1 0.0 1.0 HB3 A:CYS48 3.2 0.0 1.0 HD23 A:LEU84 3.2 0.0 1.0 CB A:CYS86 3.3 0.0 1.0 CB A:CYS48 3.3 0.0 1.0 HA A:ALA43 3.5 0.0 1.0 H A:CYS86 3.5 0.0 1.0 H A:CYS48 3.7 0.0 1.0 HB3 A:LEU84 3.8 0.0 1.0 HB2 A:CYS48 3.9 0.0 1.0 HB2 A:CYS86 4.0 0.0 1.0 HH A:TYR33 4.1 0.0 1.0 HA2 A:GLY41 4.1 0.0 1.0 H A:ALA43 4.1 0.0 1.0 SG A:CYS39 4.2 0.0 1.0 CD2 A:LEU84 4.2 0.0 1.0 SG A:CYS45 4.2 0.0 1.0 N A:CYS86 4.2 0.0 1.0 H A:CYS45 4.3 0.0 1.0 HD22 A:LEU84 4.3 0.0 1.0 CA A:CYS86 4.3 0.0 1.0 H A:SER44 4.4 0.0 1.0 N A:CYS48 4.4 0.0 1.0 O A:CYS45 4.4 0.0 1.0 OH A:TYR33 4.4 0.0 1.0 CA A:ALA43 4.5 0.0 1.0 H A:CYS85 4.5 0.0 1.0 CA A:CYS48 4.5 0.0 1.0 HG2 A:GLN87 4.5 0.0 1.0 HG A:LEU84 4.6 0.0 1.0 N A:ALA43 4.7 0.0 1.0 CB A:LEU84 4.7 0.0 1.0 CG A:LEU84 4.8 0.0 1.0 H A:THR47 4.9 0.0 1.0 C A:CYS45 5.0 0.0 1.0 H A:GLY41 5.0 0.0 1.0 HD21 A:LEU84 5.0 0.0 1.0

N.U.Jain, E.Tjioe, A.Savidor, J.Boulie. Redox-Dependent Structural Differences in Putidaredoxin Derived From Homologous Structure Refinement Via Residual Dipolar Couplings. Biochemistry V. 44 9067 2005.
ISSN: ISSN 0006-2960
PubMed: 15966730
DOI: 10.1021/BI050152C