Iron in PDB 5y7r: Quaternary Complex of Asqj-FE3+-2OG-Cyclopeptin

The structure of Quaternary Complex of Asqj-FE3+-2OG-Cyclopeptin, PDB code: 5y7r was solved by H.J.Liao, T.S.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.26 / 1.96
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.441, 119.689, 66.207, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.5

The binding sites of Iron atom in the Quaternary Complex of Asqj-FE3+-2OG-Cyclopeptin (pdb code 5y7r). 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 Quaternary Complex of Asqj-FE3+-2OG-Cyclopeptin, PDB code: 5y7r:

Iron binding site 1 out of 1 in the Quaternary Complex of Asqj-FE3+-2OG-Cyclopeptin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Quaternary Complex of Asqj-FE3+-2OG-Cyclopeptin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:54.6 occ:0.82 O B:HOH584 1.9 45.6 0.8 O1 B:AKG402 2.0 47.0 0.8 OD1 B:ASP136 2.2 45.3 1.0 NE2 B:HIS211 2.2 30.0 1.0 O5 B:AKG402 2.2 61.0 0.8 NE2 B:HIS134 2.2 32.5 1.0 C1 B:AKG402 2.6 46.5 0.8 C2 B:AKG402 2.7 48.9 0.8 CD2 B:HIS211 3.1 32.0 1.0 CG B:ASP136 3.2 37.2 1.0 CE1 B:HIS134 3.2 29.9 1.0 CD2 B:HIS134 3.2 31.8 1.0 CE1 B:HIS211 3.2 35.0 1.0 OD2 B:ASP136 3.4 39.9 1.0 H1 B:58K403 3.7 46.6 1.0 O B:HOH669 3.8 53.4 1.0 O2 B:AKG402 3.9 44.4 0.8 C3 B:AKG402 4.2 39.0 0.8 CG B:HIS211 4.2 30.9 1.0 ND1 B:HIS211 4.3 32.8 1.0 ND1 B:HIS134 4.3 33.2 1.0 H2 B:58K403 4.3 52.1 1.0 CG B:HIS134 4.3 32.7 1.0 H31 B:AKG402 4.5 46.8 0.8 C7 B:58K403 4.5 38.9 1.0 CB B:ASP136 4.6 32.5 1.0 OE1 B:GLN131 4.7 33.8 1.0 H41 B:AKG402 4.7 42.5 0.8 H9 B:58K403 4.7 51.3 1.0 H42 B:AKG402 4.7 42.5 0.8 ND2 B:ASN157 4.8 35.7 1.0 H32 B:AKG402 4.8 46.8 0.8 C8 B:58K403 4.8 43.4 1.0 C19 B:58K403 4.9 33.4 1.0 C4 B:AKG402 4.9 35.5 0.8 C14 B:58K403 4.9 42.8 1.0 H11 B:58K403 4.9 40.1 1.0 C9 B:58K403 4.9 40.9 1.0 C18 B:58K403 5.0 30.5 1.0

H.J.Liao, J.Li, J.L.Huang, M.Davidson, I.Kurnikov, T.S.Lin, J.L.Lee, M.Kurnikova, Y.Guo, N.L.Chan, W.C.Chang. Insights Into the Desaturation of Cyclopeptin and Its C3 Epimer Catalyzed By A Non-Heme Iron Enzyme: Structural Characterization and Mechanism Elucidation. Angew. Chem. Int. Ed. Engl. V. 57 1831 2018.
ISSN: ESSN 1521-3773
PubMed: 29314482
DOI: 10.1002/ANIE.201710567