Iron in PDB 4dxy: Crystal Structures of CYP101D2 Y96A Mutant

The structure of Crystal Structures of CYP101D2 Y96A Mutant, PDB code: 4dxy was solved by W.Zhou, S.G.Bell, W.Yang, A.Dale, L.-L.Wong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.03 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.896, 86.896, 124.828, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 24.9

The binding sites of Iron atom in the Crystal Structures of CYP101D2 Y96A Mutant (pdb code 4dxy). 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 Structures of CYP101D2 Y96A Mutant, PDB code: 4dxy:

Iron binding site 1 out of 1 in the Crystal Structures of CYP101D2 Y96A Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structures of CYP101D2 Y96A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:20.7 occ:1.00 FE A:HEM501 0.0 20.7 1.0 NA A:HEM501 2.0 21.6 1.0 ND A:HEM501 2.1 21.9 1.0 NB A:HEM501 2.1 20.4 1.0 NC A:HEM501 2.1 24.2 1.0 SG A:CYS363 2.3 20.8 1.0 O A:HOH682 2.4 23.6 1.0 C4A A:HEM501 3.0 21.9 1.0 C1A A:HEM501 3.0 21.6 1.0 C1D A:HEM501 3.1 26.6 1.0 C4C A:HEM501 3.1 23.3 1.0 C4B A:HEM501 3.1 20.8 1.0 C4D A:HEM501 3.1 23.5 1.0 C1B A:HEM501 3.1 21.5 1.0 C1C A:HEM501 3.2 21.5 1.0 CHD A:HEM501 3.4 17.6 1.0 CHB A:HEM501 3.4 19.1 1.0 CB A:CYS363 3.4 20.4 1.0 CHA A:HEM501 3.5 19.1 1.0 CHC A:HEM501 3.5 21.6 1.0 O A:GLY254 4.0 26.3 1.0 CA A:CYS363 4.2 19.7 1.0 C3A A:HEM501 4.2 20.2 1.0 C2 A:PEG502 4.2 35.0 1.0 C2A A:HEM501 4.2 22.7 1.0 C3B A:HEM501 4.3 23.3 1.0 C3C A:HEM501 4.3 22.8 1.0 C2D A:HEM501 4.3 24.7 1.0 C2B A:HEM501 4.3 22.1 1.0 C3D A:HEM501 4.3 20.7 1.0 C2C A:HEM501 4.4 20.4 1.0 C3 A:PEG502 4.4 43.1 1.0 N A:GLY365 4.5 19.7 1.0 C A:GLY254 4.7 25.9 1.0 O2 A:PEG502 4.7 42.1 1.0 C A:CYS363 4.8 19.1 1.0 CA A:GLY365 4.8 20.7 1.0 N A:ALA364 4.8 18.8 1.0 CA A:GLY254 5.0 25.8 1.0

S.G.Bell, W.Yang, A.Dale, W.Zhou, L.-L.Wong. Improving the Affinity and Activity of CYP101D2 For Hydrophobic Substrates Appl.Microbiol.Biotechnol. 2012.
ISSN: ESSN 1432-0614
PubMed: 22820521
DOI: 10.1007/S00253-012-4278-7