Iron in PDB 4jtn: Cysteine Dioxygenase at pH 8.0 in the Presence of Dithionite

All present enzymatic activity of Cysteine Dioxygenase at pH 8.0 in the Presence of Dithionite:
1.13.11.20;

The structure of Cysteine Dioxygenase at pH 8.0 in the Presence of Dithionite, PDB code: 4jtn was solved by C.M.Driggers, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.80 / 1.59
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.600, 57.600, 122.400, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.9

The binding sites of Iron atom in the Cysteine Dioxygenase at pH 8.0 in the Presence of Dithionite (pdb code 4jtn). 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 Cysteine Dioxygenase at pH 8.0 in the Presence of Dithionite, PDB code: 4jtn:

Iron binding site 1 out of 1 in the Cysteine Dioxygenase at pH 8.0 in the Presence of Dithionite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cysteine Dioxygenase at pH 8.0 in the Presence of Dithionite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.1 occ:1.00 NE2 A:HIS86 2.0 19.3 1.0 NE2 A:HIS88 2.1 18.8 1.0 NE2 A:HIS140 2.1 18.3 1.0 O A:HOH746 2.1 24.7 1.0 O A:HOH757 2.3 32.3 1.0 CE1 A:HIS88 2.9 17.4 1.0 CD2 A:HIS86 2.9 19.1 1.0 CE1 A:HIS86 3.0 15.8 1.0 CD2 A:HIS140 3.1 15.4 1.0 CE1 A:HIS140 3.1 17.7 1.0 CD2 A:HIS88 3.2 17.7 1.0 O A:HOH747 3.3 31.8 1.0 OH A:TYR157 4.0 23.1 1.0 ND1 A:HIS88 4.1 18.8 1.0 CG A:HIS86 4.1 16.9 1.0 ND1 A:HIS86 4.1 17.6 1.0 ND1 A:HIS140 4.2 16.4 1.0 CG A:HIS140 4.2 18.3 1.0 CG A:HIS88 4.2 16.8 1.0 SG A:CYS93 4.3 19.5 1.0 O A:HOH717 4.3 30.0 1.0 O A:HOH748 4.4 46.9 1.0 O A:HOH772 4.4 48.6 1.0 CG2 A:ILE133 4.7 20.9 1.0 CG2 A:VAL142 4.9 20.4 1.0 CZ A:TYR157 5.0 22.2 1.0

C.M.Driggers, R.B.Cooley, B.Sankaran, L.L.Hirschberger, M.H.Stipanuk, P.A.Karplus. Cysteine Dioxygenase Structures From PH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and A Cys-Bound Enzyme at Higher pH. J.Mol.Biol. V. 425 3121 2013.
ISSN: ISSN 0022-2836
PubMed: 23747973
DOI: 10.1016/J.JMB.2013.05.028