Iron in PDB 6m4s: Crystal Structure Analysis of the Cytochrome P450 Cyp-SB21

The structure of Crystal Structure Analysis of the Cytochrome P450 Cyp-SB21, PDB code: 6m4s was solved by F.W.Li, S.Y.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.636, 91.092, 52.975, 90, 94.65, 90
R / Rfree (%)	15.1 / 19.7

The structure of Crystal Structure Analysis of the Cytochrome P450 Cyp-SB21 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Crystal Structure Analysis of the Cytochrome P450 Cyp-SB21 (pdb code 6m4s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure Analysis of the Cytochrome P450 Cyp-SB21, PDB code: 6m4s:

Iron binding site 1 out of 1 in the Crystal Structure Analysis of the Cytochrome P450 Cyp-SB21


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of the Cytochrome P450 Cyp-SB21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe509 b:14.4 occ:1.00 FE A:HEM509 0.0 14.4 1.0 ND A:HEM509 1.9 15.0 1.0 NA A:HEM509 2.0 14.7 1.0 NB A:HEM509 2.1 14.4 1.0 NC A:HEM509 2.1 12.8 1.0 SG A:CYS358 2.3 14.7 1.0 O A:HOH663 2.4 23.8 1.0 C4D A:HEM509 2.9 14.0 1.0 C1D A:HEM509 3.0 14.8 1.0 C4C A:HEM509 3.0 14.5 1.0 C1B A:HEM509 3.0 16.4 1.0 C4B A:HEM509 3.0 15.7 1.0 C1A A:HEM509 3.0 14.4 1.0 C4A A:HEM509 3.0 15.7 1.0 C1C A:HEM509 3.1 14.2 1.0 CHA A:HEM509 3.3 14.7 1.0 CB A:CYS358 3.4 12.3 1.0 CHD A:HEM509 3.4 14.4 1.0 CHB A:HEM509 3.4 16.1 1.0 CHC A:HEM509 3.4 13.7 1.0 CA A:CYS358 4.1 12.6 1.0 O A:ALA243 4.1 15.3 1.0 C3D A:HEM509 4.2 15.0 1.0 C3C A:HEM509 4.2 15.3 1.0 C3A A:HEM509 4.2 14.6 1.0 C2D A:HEM509 4.2 14.4 1.0 C2A A:HEM509 4.2 14.0 1.0 C2B A:HEM509 4.3 17.1 1.0 C3B A:HEM509 4.3 16.3 1.0 C2C A:HEM509 4.3 14.4 1.0 C A:CYS358 4.7 12.9 1.0 N A:LEU359 4.7 13.4 1.0 CB A:ALA243 4.7 15.9 1.0 N A:GLY360 4.8 14.3 1.0 O A:HOH860 4.8 44.9 1.0 C A:ALA243 4.9 15.4 1.0

F.Li, L.Ma, X.Zhang, J.Chen, F.Qi, Y.Huang, Z.Qu, L.Yao, W.Zhang, E.S.Kim, S.Li. Structure-Guided Manipulation of the Regioselectivity of the Cyclosporine A Hydroxylase Cyp-SB21 From Sebekia Benihana . Synth Syst Biotechnol V. 5 236 2020.
ISSN: ISSN 2405-805X
PubMed: 32775708
DOI: 10.1016/J.SYNBIO.2020.07.004