Iron in PDB 8hg9: Cytochrome P450 Steroid Hydroxylase (BACYP106A6) From Bacillus Species

The structure of Cytochrome P450 Steroid Hydroxylase (BACYP106A6) From Bacillus Species, PDB code: 8hg9 was solved by H.Do, J.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.59 / 2.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.634, 99.231, 94.424, 90, 106.49, 90
R / Rfree (%)	22.4 / 26.9

The binding sites of Iron atom in the Cytochrome P450 Steroid Hydroxylase (BACYP106A6) From Bacillus Species (pdb code 8hg9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome P450 Steroid Hydroxylase (BACYP106A6) From Bacillus Species, PDB code: 8hg9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome P450 Steroid Hydroxylase (BACYP106A6) From Bacillus Species


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 Steroid Hydroxylase (BACYP106A6) From Bacillus Species within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.4 occ:1.00 FE A:HEM501 0.0 17.4 1.0 NB A:HEM501 2.0 22.4 1.0 NA A:HEM501 2.0 27.7 1.0 ND A:HEM501 2.0 28.7 1.0 NC A:HEM501 2.1 26.8 1.0 SG A:CYS356 2.8 25.4 1.0 C4A A:HEM501 3.0 24.8 1.0 C1B A:HEM501 3.1 22.9 1.0 C4B A:HEM501 3.1 20.7 1.0 C1A A:HEM501 3.1 27.4 1.0 C1C A:HEM501 3.1 27.1 1.0 C4D A:HEM501 3.1 24.5 1.0 C1D A:HEM501 3.1 26.3 1.0 C4C A:HEM501 3.1 23.2 1.0 CHB A:HEM501 3.4 24.1 1.0 CHC A:HEM501 3.4 22.7 1.0 CHA A:HEM501 3.4 22.8 1.0 CHD A:HEM501 3.4 23.8 1.0 CB A:CYS356 3.6 25.1 1.0 O A:ALA244 3.8 31.7 1.0 C3A A:HEM501 4.2 23.4 1.0 C2A A:HEM501 4.3 27.6 1.0 C2B A:HEM501 4.3 23.3 1.0 C3B A:HEM501 4.3 24.7 1.0 C2D A:HEM501 4.3 27.0 1.0 C3D A:HEM501 4.3 26.4 1.0 C2C A:HEM501 4.3 24.0 1.0 CA A:CYS356 4.3 25.1 1.0 C3C A:HEM501 4.3 23.8 1.0 C A:ALA244 4.7 29.6 1.0 CB A:ALA244 4.8 24.8 1.0 N A:GLY358 5.0 25.1 1.0

Iron binding site 2 out of 2 in the Cytochrome P450 Steroid Hydroxylase (BACYP106A6) From Bacillus Species


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450 Steroid Hydroxylase (BACYP106A6) From Bacillus Species within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:31.4 occ:1.00 FE B:HEM501 0.0 31.4 1.0 ND B:HEM501 2.0 30.2 1.0 NB B:HEM501 2.0 26.4 1.0 NC B:HEM501 2.0 27.9 1.0 NA B:HEM501 2.1 29.6 1.0 SG B:CYS356 2.8 30.4 1.0 C1C B:HEM501 3.0 31.1 1.0 C4D B:HEM501 3.0 32.0 1.0 C4B B:HEM501 3.0 27.3 1.0 C1D B:HEM501 3.1 28.4 1.0 C1A B:HEM501 3.1 28.7 1.0 C1B B:HEM501 3.1 27.2 1.0 C4A B:HEM501 3.1 28.9 1.0 C4C B:HEM501 3.1 29.2 1.0 CHC B:HEM501 3.4 32.4 1.0 CHA B:HEM501 3.4 29.0 1.0 CHD B:HEM501 3.4 29.2 1.0 CHB B:HEM501 3.4 27.2 1.0 CB B:CYS356 3.6 33.7 1.0 O B:ALA244 3.8 33.0 1.0 C3D B:HEM501 4.3 32.9 1.0 C2C B:HEM501 4.3 29.7 1.0 C2D B:HEM501 4.3 31.2 1.0 C2A B:HEM501 4.3 35.5 1.0 C3A B:HEM501 4.3 31.0 1.0 C3B B:HEM501 4.3 30.0 1.0 C3C B:HEM501 4.3 29.9 1.0 C2B B:HEM501 4.3 30.1 1.0 CA B:CYS356 4.3 31.1 1.0 CB B:ALA244 4.7 29.5 1.0 C B:ALA244 4.7 34.9 1.0 N B:GLY358 4.8 29.8 1.0 C B:CYS356 4.9 29.5 1.0 N B:LEU357 4.9 28.7 1.0

K.H.Kim, H.Do, C.W.Lee, P.Subedi, M.Choi, Y.Nam, J.H.Lee, T.J.Oh. Crystal Structure and Biochemical Analysis of A Cytochrome P450 Steroid Hydroxylase ( Ba CYP106A6) From Bacillus Species. J Microbiol Biotechnol. V. 33 387 2023.
ISSN: ESSN 1738-8872
PubMed: 36655276
DOI: 10.4014/JMB.2211.11031