Iron in PDB 4kwl: Rat Cysteine Dioxygenase with 3-Mercaptopropionic Acid Persulfide Bound

All present enzymatic activity of Rat Cysteine Dioxygenase with 3-Mercaptopropionic Acid Persulfide Bound:
1.13.11.20;

The structure of Rat Cysteine Dioxygenase with 3-Mercaptopropionic Acid Persulfide Bound, PDB code: 4kwl 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)	30.50 / 1.63
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.560, 57.560, 122.000, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 23.6

The binding sites of Iron atom in the Rat Cysteine Dioxygenase with 3-Mercaptopropionic Acid Persulfide Bound (pdb code 4kwl). 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 Rat Cysteine Dioxygenase with 3-Mercaptopropionic Acid Persulfide Bound, PDB code: 4kwl:

Iron binding site 1 out of 1 in the Rat Cysteine Dioxygenase with 3-Mercaptopropionic Acid Persulfide Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rat Cysteine Dioxygenase with 3-Mercaptopropionic Acid Persulfide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:11.2 occ:1.00 NE2 A:HIS86 2.0 13.0 1.0 NE2 A:HIS140 2.0 13.1 1.0 NE2 A:HIS88 2.1 13.3 1.0 S1 A:3SS302 2.2 17.2 1.0 CE1 A:HIS88 2.9 14.3 1.0 CD2 A:HIS86 3.0 12.9 1.0 CE1 A:HIS86 3.0 12.9 1.0 CD2 A:HIS140 3.0 13.2 1.0 CE1 A:HIS140 3.0 12.8 1.0 CD2 A:HIS88 3.2 13.5 1.0 S7 A:3SS302 3.2 16.8 1.0 C1 A:3SS302 3.9 21.3 1.0 ND1 A:HIS86 4.1 12.8 1.0 ND1 A:HIS88 4.1 13.5 1.0 CG A:HIS86 4.1 13.1 1.0 ND1 A:HIS140 4.2 13.3 1.0 CG A:HIS140 4.2 13.2 1.0 C2 A:3SS302 4.2 19.8 1.0 CG A:HIS88 4.3 13.5 1.0 SG A:CYS93 4.3 21.3 1.0 OH A:TYR157 4.6 20.4 1.0 CG2 A:ILE133 4.7 16.6 1.0 CG2 A:VAL142 4.7 14.3 1.0 O A:HOH558 4.8 31.1 1.0

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