Iron in PDB 6xoj: Scoe with the Caba Substrate Bound and Alpha-Ketoglutarate in An Off- Site

The structure of Scoe with the Caba Substrate Bound and Alpha-Ketoglutarate in An Off- Site, PDB code: 6xoj was solved by R.Jonnalagadda, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.95 / 1.45
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.103, 62.103, 168.083, 90, 90, 90
R / Rfree (%)	16.9 / 19.2

The binding sites of Iron atom in the Scoe with the Caba Substrate Bound and Alpha-Ketoglutarate in An Off- Site (pdb code 6xoj). 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 Scoe with the Caba Substrate Bound and Alpha-Ketoglutarate in An Off- Site, PDB code: 6xoj:

Iron binding site 1 out of 1 in the Scoe with the Caba Substrate Bound and Alpha-Ketoglutarate in An Off- Site


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Scoe with the Caba Substrate Bound and Alpha-Ketoglutarate in An Off- Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe405 b:13.3 occ:1.00 O5 A:AKG402 1.9 17.1 0.3 O2 A:AKG402 2.1 17.6 0.3 OD1 A:ASP134 2.1 13.1 1.0 NE2 A:HIS132 2.2 12.7 1.0 O A:HOH703 2.2 16.9 0.7 O A:HOH528 2.2 14.3 1.0 NE2 A:HIS295 2.2 13.1 1.0 O A:HOH721 2.2 15.7 0.7 C2 A:AKG402 2.5 18.2 0.3 C1 A:AKG402 2.6 14.8 0.3 CE1 A:HIS132 3.1 12.6 1.0 CD2 A:HIS132 3.1 13.1 1.0 CE1 A:HIS295 3.1 12.9 1.0 CG A:ASP134 3.2 14.1 1.0 CD2 A:HIS295 3.2 11.8 1.0 OD2 A:ASP134 3.4 13.4 1.0 O A:HOH639 3.7 22.5 0.7 NH1 A:ARG310 3.8 17.0 1.0 O1 A:AKG402 3.9 15.2 0.3 O A:HOH546 3.9 20.0 1.0 C3 A:AKG402 4.0 18.8 0.3 O4 A:AKG402 4.1 22.7 0.3 ND1 A:HIS132 4.2 13.3 1.0 CG A:HIS132 4.3 12.1 1.0 ND1 A:HIS295 4.3 12.6 1.0 CG A:HIS295 4.3 13.4 1.0 O A:HOH671 4.5 17.8 1.0 CA A:7UC401 4.5 26.6 0.7 CB A:ASP134 4.5 12.0 1.0 O A:HOH507 4.5 20.5 0.3 C4 A:AKG402 4.6 19.4 0.3 C5 A:AKG402 4.6 20.2 0.3 O A:HOH728 4.7 29.7 1.0 C A:7UC401 4.8 18.2 0.7 CA A:ASP134 4.8 12.9 1.0 N A:ASP134 5.0 12.0 1.0

R.Jonnalagadda, A.Del Rio Flores, W.Cai, R.Mehmood, M.Narayanamoorthy, C.Ren, J.P.T.Zaragoza, H.J.Kulik, W.Zhang, C.L.Drennan. Biochemical and Crystallographic Investigations Into Isonitrile Formation By A Non-Heme Iron-Dependent Oxidase/Decarboxylase. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33361191
DOI: 10.1074/JBC.RA120.015932