Iron in PDB 8jua: Multifunctional Cytochrome P450 Enzyme Ikad From Streptomyces Sp. ZJ306, in Complex with Epoxyikarugamycin

The structure of Multifunctional Cytochrome P450 Enzyme Ikad From Streptomyces Sp. ZJ306, in Complex with Epoxyikarugamycin, PDB code: 8jua was solved by Y.L.Zhang, L.P.Zhang, C.S.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.31 / 2.00
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.62, 81.94, 144.165, 90, 94.39, 90
R / Rfree (%)	20.4 / 25.6

The binding sites of Iron atom in the Multifunctional Cytochrome P450 Enzyme Ikad From Streptomyces Sp. ZJ306, in Complex with Epoxyikarugamycin (pdb code 8jua). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Multifunctional Cytochrome P450 Enzyme Ikad From Streptomyces Sp. ZJ306, in Complex with Epoxyikarugamycin, PDB code: 8jua:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Multifunctional Cytochrome P450 Enzyme Ikad From Streptomyces Sp. ZJ306, in Complex with Epoxyikarugamycin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Multifunctional Cytochrome P450 Enzyme Ikad From Streptomyces Sp. ZJ306, in Complex with Epoxyikarugamycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:15.4 occ:1.00 FE A:HEM501 0.0 15.4 1.0 NB A:HEM501 2.0 14.0 1.0 NA A:HEM501 2.1 10.5 1.0 ND A:HEM501 2.1 9.6 1.0 NC A:HEM501 2.1 14.2 1.0 SG A:CYS357 2.3 13.8 1.0 O A:HOH620 2.6 28.1 1.0 C4B A:HEM501 3.0 19.2 1.0 C1A A:HEM501 3.0 11.4 1.0 C1C A:HEM501 3.1 14.6 1.0 C1B A:HEM501 3.1 14.4 1.0 C4D A:HEM501 3.1 4.6 1.0 C4A A:HEM501 3.1 6.7 1.0 C1D A:HEM501 3.1 12.3 1.0 HB2 A:CYS357 3.1 14.2 1.0 C4C A:HEM501 3.2 12.5 1.0 CB A:CYS357 3.3 11.9 1.0 CHA A:HEM501 3.4 7.1 1.0 CHC A:HEM501 3.4 13.3 1.0 CHB A:HEM501 3.5 20.6 1.0 CHD A:HEM501 3.5 11.4 1.0 HA A:CYS357 3.7 14.2 1.0 H A:GLY359 4.0 21.4 1.0 CA A:CYS357 4.1 11.9 1.0 HB1 A:ALA245 4.1 25.1 1.0 HB3 A:CYS357 4.1 14.2 1.0 C3B A:HEM501 4.2 13.1 1.0 C2B A:HEM501 4.3 13.1 1.0 C2A A:HEM501 4.3 11.7 1.0 C2C A:HEM501 4.3 19.8 1.0 C3A A:HEM501 4.3 9.7 1.0 C3D A:HEM501 4.4 9.4 1.0 C2D A:HEM501 4.4 11.8 1.0 HHA A:HEM501 4.4 8.5 1.0 C3C A:HEM501 4.4 14.3 1.0 HHC A:HEM501 4.4 15.9 1.0 HHB A:HEM501 4.5 24.7 1.0 HHD A:HEM501 4.5 13.7 1.0 HC5 A:F7Z502 4.6 24.8 1.0 O A:ALA245 4.7 18.0 1.0 H A:ILE358 4.7 9.9 1.0 HD1 A:PHE350 4.7 11.6 1.0 HA3 A:GLY359 4.7 18.4 1.0 N A:GLY359 4.8 17.8 1.0 C A:CYS357 4.8 10.4 1.0 H13A A:F7Z502 4.9 25.4 1.0 O36 A:F7Z502 4.9 28.9 1.0 N A:ILE358 4.9 8.2 1.0

Iron binding site 2 out of 2 in the Multifunctional Cytochrome P450 Enzyme Ikad From Streptomyces Sp. ZJ306, in Complex with Epoxyikarugamycin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Multifunctional Cytochrome P450 Enzyme Ikad From Streptomyces Sp. ZJ306, in Complex with Epoxyikarugamycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:15.3 occ:1.00 FE B:HEM501 0.0 15.3 1.0 ND B:HEM501 2.0 10.6 1.0 NA B:HEM501 2.1 8.7 1.0 NB B:HEM501 2.1 15.9 1.0 NC B:HEM501 2.1 17.0 1.0 SG B:CYS357 2.2 13.3 1.0 O B:HOH725 2.3 20.2 1.0 C4D B:HEM501 3.0 11.2 1.0 C1D B:HEM501 3.1 11.1 1.0 C1A B:HEM501 3.1 17.6 1.0 C4B B:HEM501 3.1 15.0 1.0 C4A B:HEM501 3.1 11.1 1.0 C1C B:HEM501 3.1 16.3 1.0 C4C B:HEM501 3.1 22.8 1.0 C1B B:HEM501 3.1 16.0 1.0 HB2 B:CYS357 3.2 16.5 1.0 CB B:CYS357 3.3 13.8 1.0 CHA B:HEM501 3.4 11.2 1.0 CHC B:HEM501 3.5 22.3 1.0 CHB B:HEM501 3.5 17.5 1.0 CHD B:HEM501 3.5 13.2 1.0 HA B:CYS357 3.6 13.8 1.0 CA B:CYS357 4.0 11.5 1.0 HB3 B:CYS357 4.1 16.5 1.0 H B:GLY359 4.1 18.3 1.0 HB1 B:ALA245 4.2 26.1 1.0 C3D B:HEM501 4.2 12.3 1.0 C2D B:HEM501 4.3 15.4 1.0 C2A B:HEM501 4.3 8.8 1.0 C3A B:HEM501 4.3 13.7 1.0 C2C B:HEM501 4.3 16.4 1.0 C3B B:HEM501 4.3 18.1 1.0 C3C B:HEM501 4.3 16.0 1.0 H13A B:F7Z502 4.3 21.3 1.0 HHA B:HEM501 4.3 13.4 1.0 C2B B:HEM501 4.3 22.8 1.0 HHC B:HEM501 4.4 26.8 1.0 HHD B:HEM501 4.4 15.8 1.0 HHB B:HEM501 4.4 21.0 1.0 HC5 B:F7Z502 4.5 19.4 1.0 HD1 B:PHE350 4.6 8.2 1.0 O B:ALA245 4.8 22.5 1.0 C B:CYS357 4.8 10.8 1.0 H B:ILE358 4.8 10.8 1.0 N B:GLY359 4.9 15.2 1.0 HA3 B:GLY359 5.0 22.9 1.0 O36 B:F7Z502 5.0 24.9 1.0

P.Jiang, H.Jin, G.Zhang, W.Zhang, W.Liu, Y.Zhu, C.Zhang, L.Zhang. A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450S By Structural Comparison of Ikad and Cfta Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl. 10728 2023.
ISSN: ESSN 1521-3773
PubMed: 37917570
DOI: 10.1002/ANIE.202310728