Iron in PDB 8vfp: The Crystal Structure of Galqe CYP199A4 Bound to 4-Methylbenzoic Acid

The structure of The Crystal Structure of Galqe CYP199A4 Bound to 4-Methylbenzoic Acid, PDB code: 8vfp was solved by M.N.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.06 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.386, 51.495, 78.639, 90, 93.19, 90
R / Rfree (%)	22 / 27.7

The binding sites of Iron atom in the The Crystal Structure of Galqe CYP199A4 Bound to 4-Methylbenzoic Acid (pdb code 8vfp). 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 The Crystal Structure of Galqe CYP199A4 Bound to 4-Methylbenzoic Acid, PDB code: 8vfp:

Iron binding site 1 out of 1 in the The Crystal Structure of Galqe CYP199A4 Bound to 4-Methylbenzoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Galqe CYP199A4 Bound to 4-Methylbenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:26.6 occ:1.00 FE A:HEM502 0.0 26.6 1.0 NB A:HEM502 2.0 30.5 1.0 ND A:HEM502 2.0 30.1 1.0 NA A:HEM502 2.0 29.6 1.0 NC A:HEM502 2.0 29.1 1.0 SG A:CYS358 2.3 26.7 1.0 O A:HOH608 2.4 26.2 1.0 C4D A:HEM502 3.0 27.8 1.0 C1C A:HEM502 3.0 30.5 1.0 C4B A:HEM502 3.0 29.9 1.0 C1A A:HEM502 3.1 28.7 1.0 C1D A:HEM502 3.1 29.1 1.0 C4C A:HEM502 3.1 29.9 1.0 C1B A:HEM502 3.1 30.8 1.0 C4A A:HEM502 3.1 30.0 1.0 CB A:CYS358 3.3 27.1 1.0 CHC A:HEM502 3.4 31.9 1.0 CHA A:HEM502 3.4 29.2 1.0 CHD A:HEM502 3.4 28.7 1.0 CHB A:HEM502 3.4 28.5 1.0 CA A:CYS358 4.1 27.4 1.0 C3D A:HEM502 4.3 28.2 1.0 C2C A:HEM502 4.3 29.3 1.0 C2D A:HEM502 4.3 31.1 1.0 C2A A:HEM502 4.3 28.6 1.0 C3C A:HEM502 4.3 28.6 1.0 C3B A:HEM502 4.3 30.7 1.0 C3A A:HEM502 4.3 29.2 1.0 C2B A:HEM502 4.3 31.1 1.0 O A:GLY248 4.5 31.0 1.0 OE2 A:GLU252 4.5 28.3 1.0 C8 A:4MA501 4.7 26.1 1.0 C A:CYS358 4.8 30.1 1.0 N A:VAL359 4.9 31.6 1.0

M.N.Podgorski, J.Akter, L.R.Churchman, J.B.Bruning, J.J.De Voss, S.G.Bell. Engineering Peroxygenase Activity Into Cytochrome P450 Monooxygenases Through Modification of the Oxygen Binding Region Acs Catalysis 7426 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C01326