Iron in PDB 4kwj: Resting State of Rat Cysteine Dioxygenase

All present enzymatic activity of Resting State of Rat Cysteine Dioxygenase:
1.13.11.20;

The structure of Resting State of Rat Cysteine Dioxygenase, PDB code: 4kwj was solved by R.J.Souness, S.M.Wilbanks, G.B.Jameson, G.N.L.Jameson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.12 / 1.75
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.580, 57.580, 122.640, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 22.5

The binding sites of Iron atom in the Resting State of Rat Cysteine Dioxygenase (pdb code 4kwj). 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 Resting State of Rat Cysteine Dioxygenase, PDB code: 4kwj:

Iron binding site 1 out of 1 in the Resting State of Rat Cysteine Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Resting State of Rat Cysteine Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:13.2 occ:1.00 NE2 A:HIS86 2.0 13.5 1.0 NE2 A:HIS88 2.1 13.0 1.0 NE2 A:HIS140 2.1 14.1 1.0 O A:HOH403 2.1 12.9 1.0 O A:HOH559 2.6 31.7 1.0 CD2 A:HIS86 2.9 13.7 1.0 CE1 A:HIS88 3.0 13.6 1.0 CD2 A:HIS140 3.0 14.0 1.0 CE1 A:HIS86 3.1 13.4 1.0 CE1 A:HIS140 3.1 14.0 1.0 CD2 A:HIS88 3.1 13.3 1.0 CG A:HIS86 4.1 14.1 1.0 OH A:TYR157 4.1 18.6 1.0 ND1 A:HIS86 4.1 14.0 1.0 ND1 A:HIS88 4.2 13.1 1.0 CG A:HIS140 4.2 13.7 1.0 ND1 A:HIS140 4.2 13.7 1.0 CG A:HIS88 4.2 13.3 1.0 SG A:CYS93 4.3 16.8 1.0 O A:HOH438 4.4 17.8 1.0 CG2 A:ILE133 4.7 13.9 1.0 CG2 A:VAL142 4.7 13.8 1.0 CD2 A:LEU95 4.8 13.9 0.5

R.J.Souness, T.Kleffmann, E.P.Tchesnokov, S.M.Wilbanks, G.B.Jameson, G.N.Jameson. Mechanistic Implications of Persulfenate and Persulfide Binding in the Active Site of Cysteine Dioxygenase. Biochemistry V. 52 7606 2013.
ISSN: ISSN 0006-2960
PubMed: 24084026
DOI: 10.1021/BI400661A