Iron in PDB 8q6y: Crystal Structure of Cytochrome P450 GYMB5 From Streptomyces Katrae in Complex with Cyy and Hypoxanthine

The structure of Crystal Structure of Cytochrome P450 GYMB5 From Streptomyces Katrae in Complex with Cyy and Hypoxanthine, PDB code: 8q6y was solved by J.Freytag, J.M.Mueller, T.Stehle, G.Zocher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.72 / 1.81
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.83, 95.482, 79.451, 90, 108.28, 90
R / Rfree (%)	18.5 / 21.6

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 GYMB5 From Streptomyces Katrae in Complex with Cyy and Hypoxanthine (pdb code 8q6y). 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 Cytochrome P450 GYMB5 From Streptomyces Katrae in Complex with Cyy and Hypoxanthine, PDB code: 8q6y:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450 GYMB5 From Streptomyces Katrae in Complex with Cyy and Hypoxanthine


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 Cytochrome P450 GYMB5 From Streptomyces Katrae in Complex with Cyy and Hypoxanthine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:23.8 occ:1.00 FE A:HEM501 0.0 23.8 1.0 NA A:HEM501 2.0 17.6 1.0 NC A:HEM501 2.0 19.0 1.0 ND A:HEM501 2.1 20.1 1.0 NB A:HEM501 2.1 20.5 1.0 SG A:CYS342 2.5 23.2 1.0 C4C A:HEM501 3.0 18.3 1.0 C4A A:HEM501 3.0 20.1 1.0 C1D A:HEM501 3.0 16.9 1.0 C4B A:HEM501 3.0 15.2 1.0 C1A A:HEM501 3.0 23.4 1.0 C4D A:HEM501 3.1 17.5 1.0 C1C A:HEM501 3.1 21.7 1.0 C1B A:HEM501 3.1 17.0 1.0 O A:HOH607 3.2 36.3 1.0 CHD A:HEM501 3.4 17.9 1.0 CHB A:HEM501 3.4 18.6 1.0 CB A:CYS342 3.5 24.5 1.0 CHC A:HEM501 3.5 17.8 1.0 CHA A:HEM501 3.5 22.4 1.0 C3A A:HEM501 4.2 20.7 1.0 CA A:CYS342 4.2 24.9 1.0 C3C A:HEM501 4.2 18.6 1.0 C2A A:HEM501 4.2 21.2 1.0 C2C A:HEM501 4.2 16.2 1.0 C2B A:HEM501 4.3 17.1 1.0 C2D A:HEM501 4.3 19.0 1.0 C3B A:HEM501 4.3 15.8 1.0 C3D A:HEM501 4.3 18.7 1.0 CD A:PRO343 4.6 24.8 1.0 OG A:SER234 4.7 31.1 1.0 C8 A:HPA503 4.9 34.8 1.0 CB A:SER234 4.9 27.0 1.0 C A:CYS342 5.0 25.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450 GYMB5 From Streptomyces Katrae in Complex with Cyy and Hypoxanthine


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 Cytochrome P450 GYMB5 From Streptomyces Katrae in Complex with Cyy and Hypoxanthine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:23.3 occ:1.00 FE B:HEM501 0.0 23.3 1.0 NA B:HEM501 2.0 21.1 1.0 ND B:HEM501 2.0 24.1 1.0 NC B:HEM501 2.1 20.2 1.0 NB B:HEM501 2.1 19.9 1.0 SG B:CYS342 2.4 25.1 1.0 C1A B:HEM501 3.0 18.0 1.0 C4D B:HEM501 3.0 21.1 1.0 C4B B:HEM501 3.0 16.4 1.0 C1C B:HEM501 3.0 15.1 1.0 C1D B:HEM501 3.1 20.5 1.0 C4C B:HEM501 3.1 17.7 1.0 C1B B:HEM501 3.1 17.9 1.0 C4A B:HEM501 3.1 18.8 1.0 CHA B:HEM501 3.4 19.3 1.0 CHC B:HEM501 3.4 16.8 1.0 CHD B:HEM501 3.5 27.0 1.0 CB B:CYS342 3.5 26.2 1.0 CHB B:HEM501 3.6 22.0 1.0 C2A B:HEM501 4.2 21.5 1.0 CA B:CYS342 4.2 25.5 1.0 C2C B:HEM501 4.2 17.8 1.0 C3A B:HEM501 4.3 17.1 1.0 C3C B:HEM501 4.3 16.8 1.0 C3D B:HEM501 4.3 21.4 1.0 C3B B:HEM501 4.3 16.6 1.0 C2D B:HEM501 4.3 24.4 1.0 C2B B:HEM501 4.3 15.9 1.0 OG B:SER234 4.6 25.2 1.0 CD B:PRO343 4.7 27.6 1.0 CB B:SER234 4.7 24.4 1.0 C8 B:HPA504 4.8 40.2 1.0

J.Freytag, A.Martin, J.C.Muller, T.Kelm, T.Stehle, S.M.Li, G.Zocher. Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes Gymbx Establish Their Chemoselectivity Chemcatchem V. 16 2024.
ISSN: ESSN 1867-3899
DOI: 10.1002/CCTC.202481002