Iron in PDB 8vlb: Crystal Structure of Elobc-Vhl-CDO1 Complex Bound to Compound 4 Molecular Glue

All present enzymatic activity of Crystal Structure of Elobc-Vhl-CDO1 Complex Bound to Compound 4 Molecular Glue:
1.13.11.20;

The structure of Crystal Structure of Elobc-Vhl-CDO1 Complex Bound to Compound 4 Molecular Glue, PDB code: 8vlb was solved by W.Shu, X.Ma, A.Tutter, D.Buckley, A.Golosov, G.Michaud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.22 / 2.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	116.44, 178.116, 104.166, 90, 90, 90
R / Rfree (%)	20.8 / 25.8

The binding sites of Iron atom in the Crystal Structure of Elobc-Vhl-CDO1 Complex Bound to Compound 4 Molecular Glue (pdb code 8vlb). 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 Crystal Structure of Elobc-Vhl-CDO1 Complex Bound to Compound 4 Molecular Glue, PDB code: 8vlb:

Iron binding site 1 out of 1 in the Crystal Structure of Elobc-Vhl-CDO1 Complex Bound to Compound 4 Molecular Glue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Elobc-Vhl-CDO1 Complex Bound to Compound 4 Molecular Glue within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:189.8 occ:1.00 NE2 D:HIS86 2.2 239.2 1.0 NE2 D:HIS140 2.2 172.3 1.0 CE1 D:HIS86 2.2 205.8 1.0 NE2 D:HIS88 2.3 138.9 1.0 CD2 D:HIS140 3.1 164.8 1.0 CD2 D:HIS88 3.2 140.0 1.0 CE1 D:HIS140 3.2 166.1 1.0 ND1 D:HIS86 3.3 224.2 1.0 CD2 D:HIS86 3.3 224.6 1.0 CE1 D:HIS88 3.3 140.6 1.0 CG D:HIS86 3.8 220.6 1.0 OH D:TYR157 4.2 119.3 1.0 CG D:HIS140 4.3 161.0 1.0 ND1 D:HIS140 4.3 164.8 1.0 CG D:HIS88 4.3 138.2 1.0 ND1 D:HIS88 4.3 140.6 1.0 SG D:CYS93 4.6 100.3 1.0 CG2 D:ILE133 4.9 79.2 1.0 CZ D:TYR157 5.0 106.0 1.0

A.Tutter, D.Buckley, A.Golosov, X.Ma, W.Shu, G.Michaud. A Small Molecule Vhl Molecular Glue Degrader For Cysteine Dioxygenase 1 To Be Published.