Iron in PDB 6k0e: The Quinary Complex of Asqj-Fe-2OG-Dehydrocyclopeptin-Dioxygen

The structure of The Quinary Complex of Asqj-Fe-2OG-Dehydrocyclopeptin-Dioxygen, PDB code: 6k0e was solved by H.J.Liao, N.L.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.29 / 1.71
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.805, 119.638, 67.198, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21.2

The binding sites of Iron atom in the The Quinary Complex of Asqj-Fe-2OG-Dehydrocyclopeptin-Dioxygen (pdb code 6k0e). 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 The Quinary Complex of Asqj-Fe-2OG-Dehydrocyclopeptin-Dioxygen, PDB code: 6k0e:

Iron binding site 1 out of 1 in the The Quinary Complex of Asqj-Fe-2OG-Dehydrocyclopeptin-Dioxygen


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Quinary Complex of Asqj-Fe-2OG-Dehydrocyclopeptin-Dioxygen within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:33.9 occ:1.00 O1 B:AKG402 2.1 40.8 1.0 NE2 B:HIS211 2.1 24.7 1.0 OD1 B:ASP136 2.2 24.8 1.0 NE2 B:HIS134 2.2 23.1 1.0 O5 B:AKG402 2.3 43.3 1.0 O2 B:PEO404 2.4 39.9 0.6 HO2 B:PEO404 2.9 47.9 0.6 C1 B:AKG402 2.9 46.4 1.0 C2 B:AKG402 3.0 44.6 1.0 CE1 B:HIS211 3.0 24.4 1.0 CG B:ASP136 3.1 27.9 1.0 CD2 B:HIS211 3.1 28.0 1.0 CD2 B:HIS134 3.2 22.6 1.0 CE1 B:HIS134 3.2 24.7 1.0 O1 B:PEO404 3.3 39.2 0.6 OD2 B:ASP136 3.3 29.3 1.0 HO1 B:PEO404 3.5 47.0 0.6 H1 B:CO0403 4.1 37.9 1.0 O2 B:AKG402 4.1 39.0 1.0 ND1 B:HIS211 4.2 21.0 1.0 CG B:HIS211 4.2 20.9 1.0 ND1 B:HIS134 4.3 21.9 1.0 CG B:HIS134 4.3 19.5 1.0 C8 B:CO0403 4.4 31.6 1.0 C3 B:AKG402 4.5 35.2 1.0 CB B:ASP136 4.5 23.1 1.0 OE1 B:GLN131 4.7 27.4 1.0 C9 B:CO0403 4.8 27.0 1.0 H2 B:CO0403 4.8 38.5 1.0 H41 B:AKG402 4.8 40.8 1.0 H31 B:AKG402 4.9 42.2 1.0 C7 B:CO0403 4.9 31.5 1.0 ND2 B:ASN157 4.9 29.1 1.0 CA B:ASP136 4.9 21.9 1.0 C10 B:CO0403 4.9 32.1 1.0 H42 B:AKG402 5.0 40.8 1.0

H.J.Liao, N.L.Chan. The Quinary Complex of Asqj-Fe-2OG-Dehydrocyclopeptin-Dioxygen J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126