Iron in PDB 6l8h: Crystal Structure of CYP97C1

All present enzymatic activity of Crystal Structure of CYP97C1:
1.14.14.158;

The structure of Crystal Structure of CYP97C1, PDB code: 6l8h was solved by G.Niu, Q.Guo, L.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.70 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.749, 127.322, 143.671, 90.00, 92.22, 90.00
R / Rfree (%)	17.2 / 22.4

The binding sites of Iron atom in the Crystal Structure of CYP97C1 (pdb code 6l8h). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of CYP97C1, PDB code: 6l8h:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of CYP97C1


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 CYP97C1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:15.0 occ:1.00 FE A:HEM601 0.0 15.0 1.0 ND A:HEM601 2.0 17.3 1.0 NA A:HEM601 2.1 17.1 1.0 NC A:HEM601 2.1 14.4 1.0 NB A:HEM601 2.1 15.2 1.0 SG A:CYS487 2.4 14.8 1.0 O A:HOH859 2.6 29.8 1.0 C1D A:HEM601 3.0 13.0 1.0 C4A A:HEM601 3.1 16.2 1.0 C4C A:HEM601 3.1 14.9 1.0 C1B A:HEM601 3.1 13.1 1.0 C4D A:HEM601 3.1 17.6 1.0 C1A A:HEM601 3.1 17.2 1.0 C1C A:HEM601 3.1 13.4 1.0 C4B A:HEM601 3.1 14.9 1.0 CB A:CYS487 3.3 15.3 1.0 CHD A:HEM601 3.4 15.2 1.0 CHB A:HEM601 3.4 15.9 1.0 CHA A:HEM601 3.5 13.6 1.0 CHC A:HEM601 3.5 10.7 1.0 CA A:CYS487 4.0 9.8 1.0 O A:ALA347 4.2 15.1 1.0 C2D A:HEM601 4.2 16.1 1.0 C3A A:HEM601 4.3 16.7 1.0 C2A A:HEM601 4.3 15.2 1.0 C3D A:HEM601 4.3 18.2 1.0 C3C A:HEM601 4.3 15.3 1.0 C2B A:HEM601 4.3 13.6 1.0 CB A:ALA347 4.3 17.1 1.0 C2C A:HEM601 4.3 14.7 1.0 C3B A:HEM601 4.3 13.7 1.0 N A:GLY489 4.7 15.9 1.0 N A:VAL488 4.7 13.2 1.0 C A:CYS487 4.8 15.3 1.0 C A:ALA347 4.8 16.5 1.0 O A:HOH1212 4.9 38.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of CYP97C1


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 CYP97C1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:18.2 occ:1.00 FE B:HEM601 0.0 18.2 1.0 ND B:HEM601 2.0 18.8 1.0 NC B:HEM601 2.0 17.5 1.0 NB B:HEM601 2.1 19.5 1.0 NA B:HEM601 2.1 18.1 1.0 SG B:CYS487 2.4 18.7 1.0 O B:HOH820 2.9 24.4 1.0 C1D B:HEM601 2.9 15.9 1.0 C4C B:HEM601 3.0 19.1 1.0 C4D B:HEM601 3.0 16.2 1.0 C1C B:HEM601 3.1 14.8 1.0 C4B B:HEM601 3.1 15.1 1.0 C1B B:HEM601 3.1 16.9 1.0 C1A B:HEM601 3.1 12.4 1.0 C4A B:HEM601 3.1 19.0 1.0 CHD B:HEM601 3.3 16.9 1.0 CB B:CYS487 3.4 14.4 1.0 CHA B:HEM601 3.5 15.6 1.0 CHC B:HEM601 3.5 14.5 1.0 CHB B:HEM601 3.5 19.7 1.0 CA B:CYS487 4.1 17.6 1.0 C2D B:HEM601 4.2 20.0 1.0 C3D B:HEM601 4.2 17.0 1.0 C3C B:HEM601 4.2 15.5 1.0 C2C B:HEM601 4.2 17.6 1.0 O B:ALA347 4.3 18.5 1.0 C3B B:HEM601 4.3 14.4 1.0 C2B B:HEM601 4.3 15.9 1.0 C2A B:HEM601 4.4 16.5 1.0 CB B:ALA347 4.4 19.2 1.0 C3A B:HEM601 4.4 17.9 1.0 O B:HOH1046 4.7 32.1 1.0 N B:GLY489 4.7 14.9 1.0 C B:ALA347 4.8 20.2 1.0 N B:VAL488 4.8 19.1 1.0 C B:CYS487 4.8 15.1 1.0 O B:HOH1020 4.9 36.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of CYP97C1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of CYP97C1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:19.3 occ:1.00 FE C:HEM601 0.0 19.3 1.0 NA C:HEM601 2.0 18.4 1.0 ND C:HEM601 2.0 19.8 1.0 NC C:HEM601 2.0 18.2 1.0 NB C:HEM601 2.1 17.7 1.0 SG C:CYS487 2.5 17.3 1.0 O C:HOH796 2.7 29.1 1.0 C4C C:HEM601 3.0 14.1 1.0 C1D C:HEM601 3.0 21.3 1.0 C1A C:HEM601 3.0 19.4 1.0 C4A C:HEM601 3.1 16.3 1.0 C4D C:HEM601 3.1 16.2 1.0 C1B C:HEM601 3.1 15.9 1.0 C1C C:HEM601 3.1 18.0 1.0 C4B C:HEM601 3.1 13.5 1.0 CB C:CYS487 3.4 16.9 1.0 CHD C:HEM601 3.4 16.9 1.0 CHA C:HEM601 3.4 15.7 1.0 CHB C:HEM601 3.4 18.6 1.0 CHC C:HEM601 3.5 15.3 1.0 CA C:CYS487 4.1 17.6 1.0 O C:ALA347 4.2 21.9 1.0 C2A C:HEM601 4.2 18.8 1.0 C3C C:HEM601 4.3 14.5 1.0 C3A C:HEM601 4.3 20.4 1.0 C2D C:HEM601 4.3 18.5 1.0 C2C C:HEM601 4.3 14.5 1.0 C3D C:HEM601 4.3 19.8 1.0 C2B C:HEM601 4.3 13.1 1.0 C3B C:HEM601 4.3 13.6 1.0 CB C:ALA347 4.3 15.7 1.0 N C:GLY489 4.7 17.2 1.0 C C:ALA347 4.8 19.5 1.0 N C:VAL488 4.8 15.8 1.0 C C:CYS487 4.8 19.6 1.0 O C:HOH1085 4.9 30.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure of CYP97C1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of CYP97C1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:23.7 occ:1.00 FE D:HEM601 0.0 23.7 1.0 ND D:HEM601 2.0 20.2 1.0 NC D:HEM601 2.0 25.5 1.0 NB D:HEM601 2.0 21.2 1.0 NA D:HEM601 2.1 21.0 1.0 SG D:CYS487 2.5 26.8 1.0 O D:HOH865 2.7 28.9 1.0 C1D D:HEM601 3.0 22.6 1.0 C4C D:HEM601 3.0 25.7 1.0 C1B D:HEM601 3.0 18.2 1.0 C4A D:HEM601 3.1 21.8 1.0 C4D D:HEM601 3.1 21.4 1.0 C1C D:HEM601 3.1 21.7 1.0 C4B D:HEM601 3.1 24.7 1.0 C1A D:HEM601 3.1 17.1 1.0 CHD D:HEM601 3.3 24.4 1.0 CHB D:HEM601 3.4 21.1 1.0 CB D:CYS487 3.4 21.5 1.0 CHC D:HEM601 3.5 21.3 1.0 CHA D:HEM601 3.5 21.6 1.0 O D:ALA347 4.1 23.1 1.0 CA D:CYS487 4.1 19.9 1.0 C2D D:HEM601 4.2 20.6 1.0 C3C D:HEM601 4.2 21.9 1.0 C3D D:HEM601 4.3 23.7 1.0 C2B D:HEM601 4.3 17.5 1.0 C2C D:HEM601 4.3 21.5 1.0 C3B D:HEM601 4.3 19.2 1.0 C3A D:HEM601 4.3 22.6 1.0 C2A D:HEM601 4.4 20.2 1.0 CB D:ALA347 4.4 23.0 1.0 N D:GLY489 4.6 24.5 1.0 C D:ALA347 4.7 25.2 1.0 O D:HOH1030 4.8 44.6 1.0 N D:VAL488 4.8 26.1 1.0 C D:CYS487 4.9 25.2 1.0

G.Niu, Q.Guo, J.Wang, S.Zhao, Y.He, L.Liu. Structural Basis For Plant Lutein Biosynthesis From Alpha-Carotene Proc.Natl.Acad.Sci.Usa 2020.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2001806117