Iron in PDB 6l69: Crystal Structure of CYP154C2 From Streptomyces Avermitilis

The structure of Crystal Structure of CYP154C2 From Streptomyces Avermitilis, PDB code: 6l69 was solved by L.H.Xu, S.Fushinobu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.89 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.780, 53.390, 98.581, 90.00, 90.04, 90.00
R / Rfree (%)	16.8 / 19.3

The binding sites of Iron atom in the Crystal Structure of CYP154C2 From Streptomyces Avermitilis (pdb code 6l69). 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 CYP154C2 From Streptomyces Avermitilis, PDB code: 6l69:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of CYP154C2 From Streptomyces Avermitilis


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 CYP154C2 From Streptomyces Avermitilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:5.7 occ:1.00 FE A:HEM501 0.0 5.7 1.0 ND A:HEM501 2.0 4.5 1.0 NB A:HEM501 2.0 5.1 1.0 NC A:HEM501 2.0 6.2 1.0 NA A:HEM501 2.1 5.5 1.0 SG A:CYS348 2.4 6.4 1.0 O A:HOH792 2.4 10.6 1.0 C1C A:HEM501 3.0 6.3 1.0 C1B A:HEM501 3.0 6.0 1.0 C1D A:HEM501 3.0 4.8 1.0 C4D A:HEM501 3.0 4.3 1.0 C4C A:HEM501 3.1 5.8 1.0 C4A A:HEM501 3.1 5.4 1.0 C1A A:HEM501 3.1 5.2 1.0 C4B A:HEM501 3.1 5.0 1.0 CB A:CYS348 3.4 6.1 1.0 CHC A:HEM501 3.4 6.1 1.0 CHB A:HEM501 3.4 6.6 1.0 CHA A:HEM501 3.4 4.7 1.0 CHD A:HEM501 3.4 5.4 1.0 CA A:CYS348 4.1 5.6 1.0 C2C A:HEM501 4.2 6.5 1.0 C2B A:HEM501 4.3 6.8 1.0 C3C A:HEM501 4.3 7.1 1.0 C2D A:HEM501 4.3 5.3 1.0 O A:HOH816 4.3 12.9 1.0 C3D A:HEM501 4.3 5.2 1.0 C3A A:HEM501 4.3 6.5 1.0 C2A A:HEM501 4.3 5.8 1.0 C3B A:HEM501 4.3 6.6 1.0 O A:ALA235 4.3 12.9 1.0 CB A:ALA235 4.6 8.3 1.0 CD A:PRO349 4.8 3.9 1.0 N A:GLY350 4.9 5.0 1.0 C A:CYS348 4.9 5.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of CYP154C2 From Streptomyces Avermitilis


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 CYP154C2 From Streptomyces Avermitilis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:5.8 occ:1.00 FE B:HEM501 0.0 5.8 1.0 NB B:HEM501 2.0 5.5 1.0 ND B:HEM501 2.0 5.6 1.0 NC B:HEM501 2.0 6.7 1.0 NA B:HEM501 2.1 5.2 1.0 O B:HOH808 2.4 12.2 1.0 SG B:CYS348 2.4 6.3 1.0 C1B B:HEM501 3.0 5.4 1.0 C1C B:HEM501 3.0 6.7 1.0 C4A B:HEM501 3.0 5.5 1.0 C1D B:HEM501 3.1 5.5 1.0 C4C B:HEM501 3.1 5.7 1.0 C4B B:HEM501 3.1 3.8 1.0 C4D B:HEM501 3.1 4.0 1.0 C1A B:HEM501 3.1 6.0 1.0 CB B:CYS348 3.3 5.3 1.0 CHC B:HEM501 3.4 5.8 1.0 CHB B:HEM501 3.4 5.8 1.0 CHD B:HEM501 3.4 5.6 1.0 CHA B:HEM501 3.5 5.7 1.0 CA B:CYS348 4.1 5.8 1.0 C2B B:HEM501 4.2 5.8 1.0 C2C B:HEM501 4.2 7.3 1.0 C3C B:HEM501 4.3 6.3 1.0 C3A B:HEM501 4.3 5.6 1.0 C3B B:HEM501 4.3 5.9 1.0 C2D B:HEM501 4.3 6.2 1.0 C3D B:HEM501 4.3 5.7 1.0 C2A B:HEM501 4.3 5.9 1.0 O B:HOH790 4.3 12.8 1.0 O B:ALA235 4.3 12.8 1.0 CB B:ALA235 4.6 9.1 1.0 CD B:PRO349 4.8 4.2 1.0 N B:GLY350 4.9 4.9 1.0 C B:CYS348 4.9 5.9 1.0 O B:HOH954 5.0 23.2 1.0

Q.Wang, B.Ma, S.Fushinobu, C.Zhang, L.H.Xu. Regio- and Stereoselective Hydroxylation of Testosterone By A Novel Cytochrome P450 154C2 From Streptomyces Avermitilis. Biochem.Biophys.Res.Commun. V. 522 355 2020.
ISSN: ESSN 1090-2104
PubMed: 31767148
DOI: 10.1016/J.BBRC.2019.11.091