Iron in PDB 6bww: Crystal Structure of An Acetate and Cymal-5 Bound Cytochrome P450 2B4 F429H Mutant

All present enzymatic activity of Crystal Structure of An Acetate and Cymal-5 Bound Cytochrome P450 2B4 F429H Mutant:
1.14.14.1;

The structure of Crystal Structure of An Acetate and Cymal-5 Bound Cytochrome P450 2B4 F429H Mutant, PDB code: 6bww was solved by Y.T.Yang, L.Waskell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.59 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.185, 93.185, 151.092, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 20.6

The binding sites of Iron atom in the Crystal Structure of An Acetate and Cymal-5 Bound Cytochrome P450 2B4 F429H Mutant (pdb code 6bww). 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 An Acetate and Cymal-5 Bound Cytochrome P450 2B4 F429H Mutant, PDB code: 6bww:

Iron binding site 1 out of 1 in the Crystal Structure of An Acetate and Cymal-5 Bound Cytochrome P450 2B4 F429H Mutant


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 An Acetate and Cymal-5 Bound Cytochrome P450 2B4 F429H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:21.0 occ:1.00 FE A:HEM501 0.0 21.0 1.0 NC A:HEM501 2.0 20.9 1.0 NA A:HEM501 2.0 21.1 1.0 ND A:HEM501 2.0 21.2 1.0 NB A:HEM501 2.0 20.5 1.0 SG A:CYS436 2.4 22.5 1.0 O A:ACT504 2.4 45.0 1.0 C4C A:HEM501 3.0 21.1 1.0 C1D A:HEM501 3.0 21.6 1.0 C1B A:HEM501 3.0 20.8 1.0 C4B A:HEM501 3.0 20.8 1.0 C1C A:HEM501 3.0 20.7 1.0 C4A A:HEM501 3.1 20.9 1.0 C1A A:HEM501 3.1 21.2 1.0 C4D A:HEM501 3.1 21.5 1.0 HB2 A:CYS436 3.2 20.8 1.0 CB A:CYS436 3.3 20.4 1.0 CHB A:HEM501 3.4 21.2 1.0 CHD A:HEM501 3.4 21.9 1.0 CHC A:HEM501 3.4 21.3 1.0 CHA A:HEM501 3.5 21.7 1.0 HA A:CYS436 3.5 21.3 1.0 C A:ACT504 3.5 48.3 1.0 HB1 A:ALA298 3.7 27.5 1.0 HD1 A:HIS429 3.7 24.2 1.0 H A:GLY438 3.8 25.0 1.0 CA A:CYS436 4.0 20.6 1.0 H1 A:ACT504 4.1 48.7 1.0 O A:ALA298 4.2 33.6 1.0 C2C A:HEM501 4.2 21.3 1.0 HB3 A:CYS436 4.3 20.9 1.0 C2B A:HEM501 4.3 21.0 1.0 C3C A:HEM501 4.3 21.4 1.0 C2A A:HEM501 4.3 21.6 1.0 C3A A:HEM501 4.3 21.5 1.0 C3B A:HEM501 4.3 21.2 1.0 H A:LEU437 4.3 26.3 0.5 H A:LEU437 4.3 26.3 0.5 OXT A:ACT504 4.3 50.0 1.0 C2D A:HEM501 4.4 21.9 1.0 C3D A:HEM501 4.4 21.9 1.0 CH3 A:ACT504 4.4 48.5 1.0 C A:CYS436 4.6 25.8 1.0 ND1 A:HIS429 4.7 24.4 1.0 N A:LEU437 4.7 25.9 1.0 CB A:ALA298 4.7 26.4 1.0 N A:GLY438 4.7 25.1 1.0 H3 A:ACT504 4.8 48.8 1.0 C A:ALA298 4.9 30.1 1.0 HA3 A:GLY438 5.0 25.1 1.0

Y.Yang, W.Bu, S.Im, J.Meagher, J.Stuckey, L.Waskell. Structure of Cytochrome P450 2B4 with An Acetate Ligand and An Active Site Hydrogen Bond Network Similar to Oxyferrous P450CAM. J.Inorg.Biochem. V. 185 17 2018.
ISSN: ISSN 0162-0134
PubMed: 29730233
DOI: 10.1016/J.JINORGBIO.2018.04.015