Iron in PDB 4ier: Cys-Persulfenate Bound Cysteine Dioxygenase at pH 5.5 in the Presence of Cys

All present enzymatic activity of Cys-Persulfenate Bound Cysteine Dioxygenase at pH 5.5 in the Presence of Cys:
1.13.11.20;

The structure of Cys-Persulfenate Bound Cysteine Dioxygenase at pH 5.5 in the Presence of Cys, PDB code: 4ier was solved by C.M.Driggers, R.B.Cooley, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.73 / 1.45
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 (%)	13.7 / 19.8

The binding sites of Iron atom in the Cys-Persulfenate Bound Cysteine Dioxygenase at pH 5.5 in the Presence of Cys (pdb code 4ier). 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 Cys-Persulfenate Bound Cysteine Dioxygenase at pH 5.5 in the Presence of Cys, PDB code: 4ier:

Iron binding site 1 out of 1 in the Cys-Persulfenate Bound Cysteine Dioxygenase at pH 5.5 in the Presence of Cys


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cys-Persulfenate Bound Cysteine Dioxygenase at pH 5.5 in the Presence of Cys within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:29.2 occ:1.00 OD A:2CO502 2.0 33.7 0.7 NE2 A:HIS86 2.0 28.2 1.0 NE2 A:HIS140 2.1 24.8 1.0 NE2 A:HIS88 2.3 26.6 1.0 N A:2CO502 2.4 33.6 0.7 SG A:2CO502 2.5 36.4 0.7 CD2 A:HIS86 2.9 30.3 1.0 CD2 A:HIS140 3.0 24.6 1.0 CE1 A:HIS88 3.1 27.1 1.0 CE1 A:HIS140 3.1 26.0 1.0 CE1 A:HIS86 3.1 28.5 1.0 OE A:2CO502 3.2 39.3 0.7 CA A:2CO502 3.3 32.4 0.7 CD2 A:HIS88 3.4 26.5 1.0 CB A:2CO502 3.4 26.2 0.7 CG A:HIS86 4.1 30.4 1.0 OH A:TYR157 4.1 29.8 1.0 CG A:HIS140 4.2 25.8 1.0 ND1 A:HIS86 4.2 32.7 1.0 ND1 A:HIS140 4.2 23.9 1.0 ND1 A:HIS88 4.3 25.9 1.0 CG A:HIS88 4.4 25.9 1.0 SG A:CYS93 4.5 23.7 1.0 O A:HOH712 4.5 34.7 1.0 C A:2CO502 4.6 34.6 0.7 CG2 A:ILE133 4.8 25.6 1.0 CG2 A:VAL142 4.9 26.4 1.0 OXT A:2CO502 4.9 38.7 0.7

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