Iron in PDB 8fbc: Crystal Structure of P450T2

The structure of Crystal Structure of P450T2, PDB code: 8fbc was solved by J.H.Pereira, J.Huang, J.Keasling, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.80 / 1.53
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.931, 95.61, 100.433, 90, 90, 90
R / Rfree (%)	16.4 / 19.1

The binding sites of Iron atom in the Crystal Structure of P450T2 (pdb code 8fbc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of P450T2, PDB code: 8fbc:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of P450T2


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 P450T2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:14.7 occ:1.00 FE A:HEM400 0.0 14.7 1.0 NC A:HEM400 2.0 16.3 1.0 NA A:HEM400 2.0 13.6 1.0 ND A:HEM400 2.0 12.8 1.0 NB A:HEM400 2.0 12.6 1.0 O A:HOH600 2.1 22.5 1.0 SG A:CYS345 2.4 16.3 1.0 C1C A:HEM400 3.0 12.5 1.0 C4D A:HEM400 3.0 14.4 1.0 C1A A:HEM400 3.0 13.7 1.0 C4B A:HEM400 3.1 12.7 1.0 C1D A:HEM400 3.1 16.7 1.0 C4A A:HEM400 3.1 13.3 1.0 C1B A:HEM400 3.1 15.5 1.0 C4C A:HEM400 3.1 15.1 1.0 HB2 A:CYS345 3.3 18.8 1.0 CB A:CYS345 3.4 15.7 1.0 CHA A:HEM400 3.4 15.7 1.0 CHC A:HEM400 3.4 14.0 1.0 CHD A:HEM400 3.4 16.2 1.0 CHB A:HEM400 3.4 13.0 1.0 HG A:SER239 3.6 28.3 1.0 HA A:CYS345 3.6 17.4 1.0 H A:GLY347 3.8 20.3 1.0 HB1 A:ALA235 3.9 21.1 1.0 CA A:CYS345 4.0 14.5 1.0 HB2 A:SER239 4.2 25.0 1.0 HB3 A:CYS345 4.2 18.8 1.0 C3B A:HEM400 4.3 12.0 1.0 C2B A:HEM400 4.3 13.4 1.0 C2D A:HEM400 4.3 16.2 1.0 C3A A:HEM400 4.3 12.9 1.0 C2C A:HEM400 4.3 15.2 1.0 C3D A:HEM400 4.3 16.8 1.0 C3C A:HEM400 4.3 13.8 1.0 C2A A:HEM400 4.3 13.9 1.0 OG A:SER239 4.3 23.6 1.0 HD1 A:PHE338 4.4 16.9 1.0 HHA A:HEM400 4.4 18.8 1.0 HHC A:HEM400 4.4 16.8 1.0 H A:LEU346 4.4 17.9 1.0 HHD A:HEM400 4.4 19.5 1.0 HHB A:HEM400 4.4 15.6 1.0 O A:HOH861 4.4 40.9 1.0 HB3 A:SER239 4.5 25.0 1.0 HA3 A:GLY347 4.6 19.9 1.0 CB A:SER239 4.6 20.8 1.0 N A:GLY347 4.6 16.9 1.0 N A:LEU346 4.7 14.9 1.0 C A:CYS345 4.7 15.3 1.0 CB A:ALA235 4.9 17.6 1.0 O A:ALA235 4.9 16.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of P450T2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of P450T2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:16.2 occ:1.00 FE B:HEM400 0.0 16.2 1.0 ND B:HEM400 2.0 15.6 1.0 NB B:HEM400 2.0 16.1 1.0 NC B:HEM400 2.0 15.0 1.0 NA B:HEM400 2.0 16.2 1.0 O B:HOH650 2.1 23.8 1.0 SG B:CYS345 2.4 18.5 1.0 C4B B:HEM400 3.0 15.1 1.0 C1D B:HEM400 3.0 18.1 1.0 C4D B:HEM400 3.0 15.8 1.0 C1B B:HEM400 3.0 15.1 1.0 C1C B:HEM400 3.1 15.7 1.0 C4A B:HEM400 3.1 15.5 1.0 C4C B:HEM400 3.1 16.2 1.0 C1A B:HEM400 3.1 15.1 1.0 HB2 B:CYS345 3.3 17.1 1.0 CHC B:HEM400 3.4 14.8 1.0 CHD B:HEM400 3.4 18.6 1.0 CHB B:HEM400 3.4 16.7 1.0 CB B:CYS345 3.4 14.3 1.0 CHA B:HEM400 3.4 15.3 1.0 HA B:CYS345 3.6 20.0 1.0 H B:GLY347 3.8 22.3 1.0 HB1 B:ALA235 4.0 38.8 1.0 CA B:CYS345 4.0 16.6 1.0 C3B B:HEM400 4.2 14.8 1.0 C2D B:HEM400 4.2 17.5 1.0 C2B B:HEM400 4.3 13.2 1.0 HB3 B:CYS345 4.3 17.1 1.0 C3D B:HEM400 4.3 18.1 1.0 C3A B:HEM400 4.3 16.0 1.0 C3C B:HEM400 4.3 17.3 1.0 C2C B:HEM400 4.3 13.9 1.0 C2A B:HEM400 4.3 14.4 1.0 HB2 B:SER239 4.3 27.6 1.0 HB3 B:SER239 4.4 27.6 1.0 H B:LEU346 4.4 23.4 1.0 HHC B:HEM400 4.4 17.8 1.0 HHD B:HEM400 4.4 22.3 1.0 HHB B:HEM400 4.4 20.0 1.0 HHA B:HEM400 4.4 18.3 1.0 HD1 B:PHE338 4.4 18.8 1.0 OG B:SER239 4.4 26.9 1.0 HA3 B:GLY347 4.5 21.2 1.0 CB B:SER239 4.6 23.0 1.0 N B:GLY347 4.6 18.6 1.0 C B:CYS345 4.7 17.1 1.0 N B:LEU346 4.7 19.5 1.0 HG B:SER239 4.9 32.3 1.0 CB B:ALA235 5.0 32.3 1.0

J.Huang, J.H.Pereira, P.D.Adams, J.Keasling. Complete Integration of Carbene-Transfer Chemistry Into Biosynthesis Nature 2023.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-023-06027-2