Iron in PDB 6jzm: The Intermediate Forming O-C10 Bond Formation in Asqj-Catalyzed Epoxidation

The structure of The Intermediate Forming O-C10 Bond Formation in Asqj-Catalyzed Epoxidation, PDB code: 6jzm 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)	24.78 / 1.88
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.147, 121.805, 66.617, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.5

The binding sites of Iron atom in the The Intermediate Forming O-C10 Bond Formation in Asqj-Catalyzed Epoxidation (pdb code 6jzm). 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 Intermediate Forming O-C10 Bond Formation in Asqj-Catalyzed Epoxidation, PDB code: 6jzm:

Iron binding site 1 out of 1 in the The Intermediate Forming O-C10 Bond Formation in Asqj-Catalyzed Epoxidation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Intermediate Forming O-C10 Bond Formation in Asqj-Catalyzed Epoxidation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:54.8 occ:1.00 OD1 B:ASP136 2.2 29.6 1.0 O35 B:CQ9403 2.3 45.2 1.0 NE2 B:HIS134 2.3 21.5 1.0 NE2 B:HIS211 2.3 21.2 1.0 O3 B:SIN402 2.9 57.1 1.0 CE1 B:HIS211 3.1 21.0 1.0 CE1 B:HIS134 3.2 16.8 1.0 CG B:ASP136 3.2 26.2 1.0 CD2 B:HIS134 3.3 15.9 1.0 CD2 B:HIS211 3.4 19.0 1.0 C4 B:SIN402 3.4 50.6 1.0 OD2 B:ASP136 3.5 26.5 1.0 O4 B:SIN402 3.5 44.3 1.0 C8 B:CQ9403 4.1 34.3 1.0 H36 B:CQ9403 4.2 41.1 1.0 ND1 B:HIS211 4.3 20.6 1.0 ND1 B:HIS134 4.4 17.8 1.0 CG B:HIS211 4.4 20.0 1.0 CG B:HIS134 4.4 16.7 1.0 H141 B:CQ9403 4.5 29.0 1.0 C9 B:CQ9403 4.6 32.7 1.0 C3 B:SIN402 4.6 46.5 1.0 OE1 B:GLN131 4.6 20.5 1.0 CB B:ASP136 4.6 15.5 1.0 H21 B:SIN402 4.7 43.6 1.0 C14 B:CQ9403 4.7 24.1 1.0 H31 B:SIN402 4.8 55.8 1.0 C7 B:CQ9403 4.8 32.3 1.0 C19 B:CQ9403 4.8 29.9 1.0 H191 B:CQ9403 4.9 35.9 1.0 ND2 B:ASN157 4.9 22.6 1.0 H22 B:SIN402 4.9 43.6 1.0 C18 B:CQ9403 5.0 28.3 1.0 C15 B:CQ9403 5.0 29.0 1.0

H.J.Liao, N.L.Chan. The Intermediate Forming O-C10 Bond Formation in Asqj-Catalyzed Epoxidation J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126