Iron in PDB 4jto: Cysteine Bound Cysteine Dioxygenase at pH 8.0 in the Presence of Cys and Dithionite

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

The structure of Cysteine Bound Cysteine Dioxygenase at pH 8.0 in the Presence of Cys and Dithionite, PDB code: 4jto 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)	28.03 / 2.00
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 (%)	17.6 / 23.3

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

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cysteine Bound Cysteine Dioxygenase at pH 8.0 in the Presence of Cys and Dithionite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:21.1 occ:1.00 NE2 A:HIS86 1.9 32.3 1.0 NE2 A:HIS140 2.1 20.1 1.0 NE2 A:HIS88 2.2 19.5 1.0 N A:CYS502 2.3 27.9 1.0 SG A:CYS502 2.3 30.9 1.0 CE1 A:HIS86 2.8 23.0 1.0 CD2 A:HIS86 3.0 28.6 1.0 CD2 A:HIS140 3.1 19.3 1.0 CA A:CYS502 3.1 31.5 1.0 CE1 A:HIS140 3.1 23.2 1.0 CE1 A:HIS88 3.1 21.0 1.0 CD2 A:HIS88 3.2 18.4 1.0 CB A:CYS502 3.2 39.9 1.0 ND1 A:HIS86 3.9 21.4 1.0 CG A:HIS86 4.0 25.6 1.0 ND1 A:HIS140 4.2 20.5 1.0 CG A:HIS140 4.2 19.4 1.0 ND1 A:HIS88 4.2 23.2 1.0 CG A:HIS88 4.3 19.7 1.0 O A:HOH669 4.4 23.3 1.0 OH A:TYR157 4.4 28.2 1.0 C A:CYS502 4.5 30.9 1.0 SG A:CYS93 4.7 27.4 1.0 CG2 A:ILE133 4.9 39.6 1.0 OXT A:CYS502 4.9 33.6 1.0 CG2 A:VAL142 5.0 33.8 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