Iron in PDB 6u4v: Non-Crosslinked Wild Type Cysteine Dioxygenase

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

The structure of Non-Crosslinked Wild Type Cysteine Dioxygenase, PDB code: 6u4v 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)	38.64 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.595, 57.595, 122.469, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 23.2

The binding sites of Iron atom in the Non-Crosslinked Wild Type Cysteine Dioxygenase (pdb code 6u4v). 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 Non-Crosslinked Wild Type Cysteine Dioxygenase, PDB code: 6u4v:

Iron binding site 1 out of 1 in the Non-Crosslinked 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 Non-Crosslinked Wild Type Cysteine Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:12.1 occ:1.00 NE2 A:HIS86 2.0 10.7 1.0 NE2 A:HIS140 2.1 10.6 1.0 O A:HOH419 2.1 2.2 1.0 NE2 A:HIS88 2.1 17.6 1.0 CE1 A:HIS86 2.9 10.8 1.0 CE1 A:HIS88 2.9 15.7 1.0 CE1 A:HIS140 3.0 9.3 1.0 HE1 A:HIS88 3.0 18.9 1.0 CD2 A:HIS86 3.1 12.0 1.0 CD2 A:HIS140 3.1 10.3 1.0 HE1 A:HIS86 3.1 13.1 1.0 HE1 A:HIS140 3.2 11.3 1.0 CD2 A:HIS88 3.2 10.3 1.0 HD2 A:HIS140 3.3 12.5 1.0 HD2 A:HIS86 3.3 14.4 1.0 HD2 A:HIS88 3.5 12.5 1.0 ND1 A:HIS86 4.1 11.8 1.0 ND1 A:HIS88 4.1 17.8 1.0 ND1 A:HIS140 4.1 9.2 1.0 CG A:HIS86 4.2 13.9 1.0 HG23 A:VAL142 4.2 22.4 1.0 CG A:HIS140 4.2 7.0 1.0 HH A:TYR157 4.2 23.8 1.0 SG A:CYS93 4.2 27.2 1.0 HG21 A:ILE133 4.3 18.9 1.0 HE1 A:TYR157 4.3 23.2 1.0 CG A:HIS88 4.3 17.6 1.0 HG21 A:VAL142 4.3 22.4 1.0 HD12 A:LEU95 4.5 31.7 1.0 HG A:CYS93 4.6 32.8 1.0 CG2 A:VAL142 4.7 18.6 1.0 HD1 A:HIS86 4.8 14.3 1.0 HD1 A:HIS155 4.9 14.9 1.0 HD1 A:HIS88 4.9 21.4 1.0 HE1 A:HIS155 4.9 15.7 1.0 HD1 A:HIS140 4.9 11.2 1.0 CG2 A:ILE133 5.0 15.6 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