Iron in PDB 4xfa: Cysteine Dioxygenase Variant - Y157F at pH 8.0 in Complex with Homocysteine

All present enzymatic activity of Cysteine Dioxygenase Variant - Y157F at pH 8.0 in Complex with Homocysteine:
1.13.11.20;

The structure of Cysteine Dioxygenase Variant - Y157F at pH 8.0 in Complex with Homocysteine, PDB code: 4xfa 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)	33.00 / 1.65
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 (%)	16.9 / 21

The binding sites of Iron atom in the Cysteine Dioxygenase Variant - Y157F at pH 8.0 in Complex with Homocysteine (pdb code 4xfa). 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 Variant - Y157F at pH 8.0 in Complex with Homocysteine, PDB code: 4xfa:

Iron binding site 1 out of 1 in the Cysteine Dioxygenase Variant - Y157F at pH 8.0 in Complex with Homocysteine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cysteine Dioxygenase Variant - Y157F at pH 8.0 in Complex with Homocysteine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.3 occ:1.00 NE2 A:HIS86 2.0 18.3 1.0 NE2 A:HIS140 2.0 18.9 1.0 NE2 A:HIS88 2.1 17.0 1.0 SD A:HCS502 2.2 21.6 1.0 CE1 A:HIS88 3.0 19.7 1.0 CD2 A:HIS86 3.0 17.8 1.0 CD2 A:HIS140 3.0 18.7 1.0 CE1 A:HIS140 3.1 19.3 1.0 CE1 A:HIS86 3.1 21.4 1.0 CD2 A:HIS88 3.2 16.7 1.0 CG A:HCS502 3.4 31.0 1.0 CB A:HCS502 3.6 37.2 1.0 N A:HCS502 3.7 27.8 1.0 SG A:CYS93 4.1 23.4 1.0 CG A:HIS86 4.1 17.2 1.0 CA A:HCS502 4.1 31.3 1.0 ND1 A:HIS86 4.1 17.7 1.0 CG A:HIS140 4.1 18.6 1.0 ND1 A:HIS88 4.1 19.1 1.0 ND1 A:HIS140 4.2 16.9 1.0 CG A:HIS88 4.3 17.7 1.0 O A:HOH717 4.7 25.0 1.0 CG2 A:VAL142 4.8 22.8 1.0 CG2 A:ILE133 4.8 20.4 1.0

C.M.Driggers, L.L.Hischberger, M.H.Stipanuk, P.A.Karplus. Structures of Mammalian Cysteine Dioxygenase Variants Missing the Cys-Tyr Crosslink To Be Published.