Iron in PDB 4ubg: Resting State of Rat Cysteine Dioxygenase C93G Variant

All present enzymatic activity of Resting State of Rat Cysteine Dioxygenase C93G Variant:
1.13.11.20;

The structure of Resting State of Rat Cysteine Dioxygenase C93G Variant, PDB code: 4ubg was solved by M.Fellner, E.P.Tchesnokov, G.N.Jameson, S.M.Wilbanks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.10 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.840, 57.840, 122.730, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24.1

The structure of Resting State of Rat Cysteine Dioxygenase C93G Variant also contains other interesting chemical elements:

Sodium

(Na)

9 atoms

The binding sites of Iron atom in the Resting State of Rat Cysteine Dioxygenase C93G Variant (pdb code 4ubg). 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 Resting State of Rat Cysteine Dioxygenase C93G Variant, PDB code: 4ubg:

Iron binding site 1 out of 1 in the Resting State of Rat Cysteine Dioxygenase C93G Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Resting State of Rat Cysteine Dioxygenase C93G Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:24.7 occ:1.00 O A:HOH562 1.9 25.6 1.0 NE2 A:HIS86 2.1 35.7 1.0 NE2 A:HIS140 2.2 20.3 1.0 NE2 A:HIS88 2.3 20.7 1.0 O A:HOH563 2.6 34.6 1.0 CD2 A:HIS86 3.0 21.5 1.0 CE1 A:HIS86 3.1 24.2 1.0 CE1 A:HIS88 3.1 19.1 1.0 CE1 A:HIS140 3.2 14.0 1.0 CD2 A:HIS140 3.2 15.6 1.0 CD2 A:HIS88 3.3 19.2 1.0 OH A:TYR157 4.1 19.5 1.0 ND1 A:HIS86 4.2 37.7 1.0 CG A:HIS86 4.2 25.7 1.0 ND1 A:HIS88 4.3 19.2 1.0 ND1 A:HIS140 4.3 15.9 1.0 CG A:HIS140 4.3 20.0 1.0 CG A:HIS88 4.4 18.3 1.0 CE2 A:TYR157 4.7 16.1 1.0 CD2 A:LEU95 4.7 15.9 0.4 CG2 A:VAL142 4.8 13.4 1.0 CG2 A:ILE133 4.9 18.4 1.0 CZ A:TYR157 4.9 17.2 1.0

C.G.Davies, M.Fellner, E.P.Tchesnokov, S.M.Wilbanks, G.N.Jameson. The Cys-Tyr Crosslink of Cysteine Dioxygenase Changes the Optimum pH of Reaction Without Structural Change Biochemistry 2014.
ISSN: ISSN 0006-2960