Iron in PDB 6u4s: Wild Type Cysteine Dioxygenase

All present enzymatic activity of Wild Type Cysteine Dioxygenase:
1.13.11.20;

The structure of Wild Type Cysteine Dioxygenase, PDB code: 6u4s was solved by K.M.Meneely, A.S.Chilton, D.L.Forbes, H.R.Ellis, A.L.Lamb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.55 / 2.49
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.454, 57.454, 122.260, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 26.2

The binding sites of Iron atom in the Wild Type Cysteine Dioxygenase (pdb code 6u4s). 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 Wild Type Cysteine Dioxygenase, PDB code: 6u4s:

Iron binding site 1 out of 1 in the Wild Type Cysteine Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Wild Type Cysteine Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:28.5 occ:1.00 NE2 A:HIS86 2.0 32.8 1.0 NE2 A:HIS140 2.1 33.5 1.0 NE2 A:HIS88 2.1 30.4 1.0 O A:HOH405 2.1 19.1 1.0 CE1 A:HIS88 2.9 31.4 1.0 HE1 A:HIS88 2.9 37.7 1.0 CE1 A:HIS86 2.9 28.8 1.0 CD2 A:HIS86 3.0 35.0 1.0 CE1 A:HIS140 3.0 29.1 1.0 HE1 A:HIS86 3.1 34.5 1.0 CD2 A:HIS140 3.2 30.4 1.0 HE1 A:HIS140 3.2 34.9 1.0 HD2 A:HIS86 3.2 42.0 1.0 CD2 A:HIS88 3.3 24.0 1.0 HD2 A:HIS140 3.4 36.6 1.0 HD2 A:HIS88 3.6 28.9 1.0 ND1 A:HIS86 4.0 25.8 1.0 ND1 A:HIS88 4.1 29.2 1.0 CG A:HIS86 4.1 27.7 1.0 OH A:TYR157 4.1 47.4 1.0 ND1 A:HIS140 4.2 30.6 1.0 CG A:HIS140 4.3 33.0 1.0 CG A:HIS88 4.3 35.7 1.0 HG21 A:ILE133 4.3 37.7 1.0 HG23 A:VAL142 4.3 46.2 1.0 SG A:CYS93 4.3 49.4 1.0 HE2 A:TYR157 4.4 38.0 1.0 HG21 A:VAL142 4.4 46.2 1.0 HH A:TYR157 4.6 56.9 1.0 HD12 A:LEU95 4.7 52.2 1.0 HD1 A:HIS88 4.8 35.0 1.0 HD1 A:HIS86 4.8 31.0 1.0 CG2 A:VAL142 4.8 38.5 1.0 HD1 A:HIS155 4.9 33.8 1.0 HD1 A:HIS140 4.9 36.8 1.0 CE2 A:TYR157 5.0 31.6 1.0

D.L.Forbes, K.M.Meneely, A.S.Chilton, A.L.Lamb, H.R.Ellis. The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase. Biochemistry V. 59 2022 2020.
ISSN: ISSN 0006-2960
PubMed: 32368901
DOI: 10.1021/ACS.BIOCHEM.9B01085