Iron in PDB 3eln: A Putative FE2+-Bound Persulfenate Intermediate in Cysteine Dioxygenase

All present enzymatic activity of A Putative FE2+-Bound Persulfenate Intermediate in Cysteine Dioxygenase:
1.13.11.20;

The structure of A Putative FE2+-Bound Persulfenate Intermediate in Cysteine Dioxygenase, PDB code: 3eln was solved by C.R.Simmons, M.H.Stipanuk, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.68 / 1.42
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.523, 57.523, 122.190, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 17.7

The binding sites of Iron atom in the A Putative FE2+-Bound Persulfenate Intermediate in Cysteine Dioxygenase (pdb code 3eln). 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 A Putative FE2+-Bound Persulfenate Intermediate in Cysteine Dioxygenase, PDB code: 3eln:

Iron binding site 1 out of 1 in the A Putative FE2+-Bound Persulfenate Intermediate in Cysteine Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Putative FE2+-Bound Persulfenate Intermediate in Cysteine Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.8 occ:1.00 NE2 A:HIS86 2.0 17.1 1.0 OD A:2CO580 2.1 22.2 0.7 NE2 A:HIS88 2.2 16.4 1.0 NE2 A:HIS140 2.2 16.6 1.0 N A:2CO580 2.4 17.8 0.7 SG A:2CO580 2.5 19.0 0.7 CD2 A:HIS86 3.0 16.7 1.0 CE1 A:HIS88 3.0 17.1 1.0 CE1 A:HIS86 3.1 18.4 1.0 OE A:2CO580 3.1 32.3 0.7 CD2 A:HIS140 3.1 15.6 1.0 CA A:2CO580 3.2 17.4 0.7 CE1 A:HIS140 3.2 16.0 1.0 CD2 A:HIS88 3.3 15.8 1.0 CB A:2CO580 3.3 17.8 0.7 ND1 A:HIS86 4.2 17.5 1.0 CG A:HIS86 4.2 16.8 1.0 ND1 A:HIS88 4.2 17.4 1.0 CG A:HIS140 4.3 16.3 1.0 ND1 A:HIS140 4.3 16.0 1.0 CG A:HIS88 4.3 16.1 1.0 OH A:TYR157 4.4 22.1 1.0 O A:HOH649 4.4 23.7 1.0 SG A:CYS93 4.6 20.3 1.0 C A:2CO580 4.6 19.4 0.7 CG2 A:VAL142 4.8 18.3 1.0 CG2 A:ILE133 4.9 19.0 1.0

C.R.Simmons, K.Krishnamoorthy, S.L.Granett, D.J.Schuller, J.E.Dominy, T.P.Begley, M.H.Stipanuk, P.A.Karplus. A Putative FE2+-Bound Persulfenate Intermediate in Cysteine Dioxygenase. Biochemistry V. 47 11390 2008.
ISSN: ISSN 0006-2960
PubMed: 18847220
DOI: 10.1021/BI801546N