Iron in PDB 6g5o: The Structure of A Carbohydrate Active P450

The structure of The Structure of A Carbohydrate Active P450, PDB code: 6g5o was solved by C.S.Robb, J.H.Hehemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.86 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.280, 68.152, 199.728, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.8

The binding sites of Iron atom in the The Structure of A Carbohydrate Active P450 (pdb code 6g5o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Structure of A Carbohydrate Active P450, PDB code: 6g5o:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Structure of A Carbohydrate Active P450


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of A Carbohydrate Active P450 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:22.5 occ:1.00 FE A:HEM401 0.0 22.5 1.0 ND A:HEM401 1.9 19.4 1.0 NA A:HEM401 2.0 19.2 1.0 NC A:HEM401 2.1 18.9 1.0 NB A:HEM401 2.1 18.7 1.0 O A:HOH543 2.3 33.0 1.0 SG A:CYS330 2.3 23.8 1.0 C1D A:HEM401 2.9 18.2 1.0 C4D A:HEM401 2.9 18.3 1.0 C1A A:HEM401 3.0 19.4 1.0 C4A A:HEM401 3.0 21.2 1.0 C4C A:HEM401 3.0 20.6 1.0 C4B A:HEM401 3.1 19.4 1.0 C1B A:HEM401 3.1 18.4 1.0 C1C A:HEM401 3.1 20.5 1.0 CHD A:HEM401 3.3 19.2 1.0 CHA A:HEM401 3.4 18.9 1.0 CB A:CYS330 3.4 23.6 1.0 CHB A:HEM401 3.4 19.8 1.0 CHC A:HEM401 3.5 20.2 1.0 CA A:CYS330 4.1 22.2 1.0 C2D A:HEM401 4.1 19.2 1.0 C3D A:HEM401 4.2 19.3 1.0 C3A A:HEM401 4.2 19.8 1.0 C2A A:HEM401 4.2 20.3 1.0 O A:HOH577 4.2 37.4 1.0 O A:GLY220 4.2 31.0 1.0 C3C A:HEM401 4.3 21.0 1.0 C2C A:HEM401 4.3 20.9 1.0 C2B A:HEM401 4.3 19.7 1.0 C3B A:HEM401 4.3 20.9 1.0 N A:GLY332 4.7 18.1 1.0 C A:CYS330 4.8 21.9 1.0 C A:GLY220 4.8 28.2 1.0 N A:LEU331 4.9 20.3 1.0

Iron binding site 2 out of 2 in the The Structure of A Carbohydrate Active P450


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of A Carbohydrate Active P450 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:21.5 occ:1.00 FE B:HEM401 0.0 21.5 1.0 ND B:HEM401 1.9 20.7 1.0 NA B:HEM401 2.0 20.7 1.0 NC B:HEM401 2.1 22.2 1.0 NB B:HEM401 2.1 22.2 1.0 SG B:CYS330 2.3 19.8 1.0 O B:HOH558 2.4 29.1 1.0 C1D B:HEM401 2.9 19.1 1.0 C4D B:HEM401 2.9 20.1 1.0 C1A B:HEM401 3.0 19.9 1.0 C4C B:HEM401 3.0 23.5 1.0 C4A B:HEM401 3.0 20.8 1.0 C4B B:HEM401 3.1 20.3 1.0 C1B B:HEM401 3.1 21.1 1.0 C1C B:HEM401 3.1 22.3 1.0 CHD B:HEM401 3.4 23.5 1.0 CHA B:HEM401 3.4 20.9 1.0 CB B:CYS330 3.4 18.8 1.0 CHB B:HEM401 3.5 18.9 1.0 CHC B:HEM401 3.5 21.4 1.0 CA B:CYS330 4.1 17.9 1.0 C2D B:HEM401 4.2 20.6 1.0 C2A B:HEM401 4.2 22.2 1.0 C3A B:HEM401 4.2 19.4 1.0 C3D B:HEM401 4.2 21.2 1.0 C3C B:HEM401 4.2 21.7 1.0 C2C B:HEM401 4.2 22.7 1.0 O B:GLY220 4.3 32.2 1.0 C2B B:HEM401 4.3 19.6 1.0 C3B B:HEM401 4.3 20.4 1.0 O B:HOH610 4.5 36.5 1.0 N B:GLY332 4.7 19.4 1.0 C B:CYS330 4.8 19.1 1.0 N B:LEU331 4.8 19.7 1.0 C B:GLY220 4.9 30.8 1.0

C.S.Robb, L.Reisky, U.T.Bornscheuer, J.H.Hehemann. Specificity and Mechanism of Carbohydrate Demethylation By Cytochrome P450 Monooxygenases. Biochem. J. V. 475 3875 2018.
ISSN: ESSN 1470-8728
PubMed: 30404923
DOI: 10.1042/BCJ20180762