Iron in PDB 6u4l: Cysteine Dioxygenase Variant - C93E

All present enzymatic activity of Cysteine Dioxygenase Variant - C93E:
1.13.11.20;

The structure of Cysteine Dioxygenase Variant - C93E, PDB code: 6u4l 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)	33.93 / 1.91
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.685, 57.685, 122.213, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 21.7

The binding sites of Iron atom in the Cysteine Dioxygenase Variant - C93E (pdb code 6u4l). 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 - C93E, PDB code: 6u4l:

Iron binding site 1 out of 1 in the Cysteine Dioxygenase Variant - C93E


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 - C93E within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:10.6 occ:1.00 O A:HOH405 2.1 11.5 1.0 O A:ACT302 2.1 12.3 1.0 OE1 A:GLU93 2.1 11.9 1.0 NE2 A:HIS88 2.1 12.3 1.0 NE2 A:HIS140 2.2 10.8 1.0 NE2 A:HIS86 2.2 11.3 1.0 C A:ACT302 3.0 20.1 1.0 CD A:GLU93 3.0 15.4 1.0 CD2 A:HIS86 3.1 11.4 1.0 CD2 A:HIS88 3.1 14.1 1.0 CE1 A:HIS140 3.1 11.9 1.0 CE1 A:HIS88 3.2 14.4 1.0 CD2 A:HIS140 3.2 10.8 1.0 CE1 A:HIS86 3.2 14.4 1.0 HD2 A:HIS86 3.2 13.6 1.0 HD2 A:HIS88 3.2 16.9 1.0 HE1 A:HIS140 3.2 14.3 1.0 OE2 A:GLU93 3.3 14.9 1.0 HE1 A:HIS88 3.4 17.3 1.0 HD2 A:HIS140 3.4 13.0 1.0 OXT A:ACT302 3.4 20.5 1.0 HE1 A:HIS86 3.4 17.2 1.0 HG21 A:ILE133 4.1 17.0 1.0 HE1 A:TYR157 4.1 20.2 1.0 ND1 A:HIS140 4.2 12.1 1.0 ND1 A:HIS88 4.3 12.3 1.0 CG A:HIS88 4.3 14.6 1.0 CG A:HIS86 4.3 10.1 1.0 HH A:TYR157 4.3 16.7 1.0 ND1 A:HIS86 4.3 12.3 1.0 CG A:HIS140 4.3 10.3 1.0 CH3 A:ACT302 4.3 14.8 1.0 O A:HOH437 4.3 17.4 1.0 CG A:GLU93 4.4 12.8 1.0 HB3 A:GLU93 4.4 12.7 1.0 H3 A:ACT302 4.5 17.7 1.0 HG23 A:VAL142 4.5 19.6 1.0 HB2 A:GLU93 4.5 12.7 1.0 HG21 A:VAL142 4.5 19.6 1.0 H1 A:ACT302 4.7 17.7 1.0 CB A:GLU93 4.7 10.6 1.0 CG2 A:ILE133 4.8 14.2 1.0 HG22 A:ILE133 4.8 17.0 1.0 HG23 A:ILE133 4.9 17.0 1.0 HD23 A:LEU95 4.9 33.5 1.0 HG2 A:GLU93 4.9 15.3 1.0 HG3 A:GLU93 5.0 15.3 1.0 CG2 A:VAL142 5.0 16.4 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