Iron in PDB 8jno: Crystal Structure of Cytochrome P450 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf

The structure of Crystal Structure of Cytochrome P450 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf, PDB code: 8jno 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)	12.91 / 2.00
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.032, 82.178, 144.422, 90, 94.32, 90
R / Rfree (%)	21.4 / 26.7

The structure of Crystal Structure of Cytochrome P450 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf (pdb code 8jno). 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 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf, PDB code: 8jno:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf


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 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:6.1 occ:1.00 FE A:HEM501 0.0 6.1 1.0 NC A:HEM501 2.0 5.0 1.0 NA A:HEM501 2.1 3.4 1.0 NB A:HEM501 2.1 7.1 1.0 ND A:HEM501 2.1 2.4 1.0 SG A:CYS357 2.3 6.1 1.0 C1C A:HEM501 3.0 3.1 1.0 C4B A:HEM501 3.0 10.8 1.0 C4C A:HEM501 3.0 2.7 1.0 C1A A:HEM501 3.1 3.7 1.0 C4A A:HEM501 3.1 4.2 1.0 C1D A:HEM501 3.1 3.1 1.0 C1B A:HEM501 3.1 5.0 1.0 C4D A:HEM501 3.1 1.3 1.0 HB2 A:CYS357 3.2 6.4 1.0 CB A:CYS357 3.3 5.4 1.0 CHC A:HEM501 3.4 4.2 1.0 CHD A:HEM501 3.4 3.3 1.0 CHA A:HEM501 3.5 2.0 1.0 CHB A:HEM501 3.5 7.7 1.0 HC27 A:E8T502 3.6 9.8 1.0 HA A:CYS357 3.6 6.4 1.0 HC30 A:E8T502 4.0 11.7 1.0 CA A:CYS357 4.0 5.4 1.0 H A:GLY359 4.0 1.7 1.0 HB3 A:CYS357 4.1 6.4 1.0 C2C A:HEM501 4.2 4.3 1.0 C3C A:HEM501 4.2 2.9 1.0 HB1 A:ALA245 4.2 9.0 1.0 C3B A:HEM501 4.3 7.9 1.0 C3A A:HEM501 4.3 4.1 1.0 C2A A:HEM501 4.3 2.6 1.0 C2D A:HEM501 4.3 2.5 1.0 C2B A:HEM501 4.3 7.7 1.0 HHC A:HEM501 4.3 5.1 1.0 C3D A:HEM501 4.3 2.0 1.0 H29A A:E8T502 4.4 8.9 1.0 HHD A:HEM501 4.4 4.0 1.0 HHA A:HEM501 4.4 2.3 1.0 HHB A:HEM501 4.5 9.2 1.0 HD1 A:PHE350 4.5 6.4 1.0 C27 A:E8T502 4.5 8.2 1.0 H A:ILE358 4.7 3.5 1.0 HC28 A:E8T502 4.7 10.7 1.0 HA3 A:GLY359 4.8 7.4 1.0 C A:CYS357 4.8 3.2 1.0 C29 A:E8T502 4.8 7.5 1.0 N A:GLY359 4.9 1.4 1.0 C30 A:E8T502 4.9 9.8 1.0 N A:ILE358 4.9 2.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf


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 Ikad From Streptomyces Sp. ZJ306, in Complex with the Substrate 10-Epi-Deoh-Hsaf within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:6.2 occ:1.00 FE B:HEM501 0.0 6.2 1.0 NB B:HEM501 2.1 3.4 1.0 NA B:HEM501 2.1 1.3 1.0 NC B:HEM501 2.1 5.0 1.0 ND B:HEM501 2.1 2.3 1.0 SG B:CYS357 2.4 2.0 1.0 C4B B:HEM501 3.0 6.3 1.0 C1D B:HEM501 3.0 2.8 1.0 C1C B:HEM501 3.0 4.4 1.0 C4C B:HEM501 3.0 3.9 1.0 C4A B:HEM501 3.1 5.4 1.0 HB2 B:CYS357 3.1 5.2 1.0 C4D B:HEM501 3.1 4.0 1.0 C1A B:HEM501 3.1 4.1 1.0 C1B B:HEM501 3.1 2.8 1.0 CB B:CYS357 3.3 4.4 1.0 CHC B:HEM501 3.4 3.3 1.0 CHD B:HEM501 3.4 4.8 1.0 CHB B:HEM501 3.5 3.7 1.0 CHA B:HEM501 3.5 2.8 1.0 HC27 B:E8T502 3.7 15.1 1.0 HA B:CYS357 3.7 5.1 1.0 HC30 B:E8T502 4.0 10.3 1.0 H B:GLY359 4.1 11.2 1.0 H29B B:E8T502 4.1 8.3 1.0 CA B:CYS357 4.1 4.3 1.0 HB3 B:CYS357 4.1 5.2 1.0 HB1 B:ALA245 4.2 13.4 1.0 C3C B:HEM501 4.2 3.0 1.0 C2C B:HEM501 4.2 5.4 1.0 C3B B:HEM501 4.2 5.1 1.0 C2D B:HEM501 4.3 3.3 1.0 C3D B:HEM501 4.3 1.6 1.0 C3A B:HEM501 4.3 3.6 1.0 C2A B:HEM501 4.3 3.2 1.0 C2B B:HEM501 4.3 7.0 1.0 HHC B:HEM501 4.4 3.9 1.0 HHD B:HEM501 4.4 5.7 1.0 HHB B:HEM501 4.4 4.5 1.0 HHA B:HEM501 4.4 3.3 1.0 HD1 B:PHE350 4.5 3.7 1.0 C27 B:E8T502 4.6 12.6 1.0 C29 B:E8T502 4.7 6.9 1.0 C30 B:E8T502 4.8 8.6 1.0 H B:ILE358 4.8 6.7 1.0 HA3 B:GLY359 4.8 9.2 1.0 C B:CYS357 4.9 3.4 1.0 N B:GLY359 4.9 9.3 1.0 HC28 B:E8T502 5.0 6.2 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