Iron in PDB 7y9o: Crystal Structure of A CYP109B4 Variant From Bacillus Sonorensis

The structure of Crystal Structure of A CYP109B4 Variant From Bacillus Sonorensis, PDB code: 7y9o was solved by P.P.Shen, J.-W.Huang, X.Li, W.D.Liu, C.-C.Chen, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.06 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.87, 62.602, 140.526, 90, 90, 90
R / Rfree (%)	19.1 / 22.2

The structure of Crystal Structure of A CYP109B4 Variant From Bacillus Sonorensis also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Crystal Structure of A CYP109B4 Variant From Bacillus Sonorensis (pdb code 7y9o). 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 of A CYP109B4 Variant From Bacillus Sonorensis, PDB code: 7y9o:

Iron binding site 1 out of 1 in the Crystal Structure of A CYP109B4 Variant From Bacillus Sonorensis


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 A CYP109B4 Variant From Bacillus Sonorensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.7 occ:1.00 FE A:HEM501 0.0 16.7 1.0 ND A:HEM501 1.9 15.9 1.0 NA A:HEM501 2.0 15.1 1.0 NC A:HEM501 2.1 16.7 1.0 NB A:HEM501 2.1 15.2 1.0 SG A:CYS351 2.2 17.4 1.0 N3 A:IMD502 2.7 26.2 1.0 C4D A:HEM501 2.9 15.1 1.0 C1D A:HEM501 2.9 15.5 1.0 C1A A:HEM501 2.9 15.1 1.0 C1B A:HEM501 3.0 17.1 1.0 C4A A:HEM501 3.0 16.0 1.0 C4C A:HEM501 3.0 16.6 1.0 C4B A:HEM501 3.1 16.4 1.0 C1C A:HEM501 3.1 16.3 1.0 C2 A:IMD502 3.2 33.3 1.0 CB A:CYS351 3.2 16.2 1.0 CHA A:HEM501 3.3 14.3 1.0 CHD A:HEM501 3.4 16.5 1.0 CHB A:HEM501 3.4 16.0 1.0 CHC A:HEM501 3.5 15.9 1.0 C4 A:IMD502 3.6 39.0 1.0 CA A:CYS351 3.9 14.6 1.0 N1 A:IMD502 4.1 37.4 1.0 C3D A:HEM501 4.2 15.0 1.0 C2A A:HEM501 4.2 15.7 1.0 C2D A:HEM501 4.2 14.3 1.0 C3A A:HEM501 4.2 16.4 1.0 C5 A:IMD502 4.3 37.5 1.0 C3C A:HEM501 4.3 18.0 1.0 C2B A:HEM501 4.3 15.5 1.0 C2C A:HEM501 4.3 17.6 1.0 C3B A:HEM501 4.3 17.0 1.0 N A:GLY353 4.6 16.1 1.0 CG2 A:THR245 4.7 17.8 1.0 C A:CYS351 4.7 15.1 1.0 N A:LEU352 4.8 15.4 1.0

X.Zhang, P.Shen, J.Zhao, Y.Chen, X.Li, J.W.Huang, L.Zhang, Q.Li, C.Gao, Q.Xing, C.C.Chen, R.T.Guo, A.Li. Rationally Controlling Selective Steroid Hydroxylation Via Scaffold Sampling of A P450 Family Acs Catalysis V. 13 1280 2023.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.2C04906