Iron in PDB 7dls: Cytochrome P450 (CYP105D18) Complex with Papaverine

The structure of Cytochrome P450 (CYP105D18) Complex with Papaverine, PDB code: 7dls was solved by H.Do, J.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.59 / 2.06
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.522, 52.172, 87.896, 90, 110.68, 90
R / Rfree (%)	17.2 / 21.8

The binding sites of Iron atom in the Cytochrome P450 (CYP105D18) Complex with Papaverine (pdb code 7dls). 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 Cytochrome P450 (CYP105D18) Complex with Papaverine, PDB code: 7dls:

Iron binding site 1 out of 1 in the Cytochrome P450 (CYP105D18) Complex with Papaverine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 (CYP105D18) Complex with Papaverine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:20.9 occ:1.00 FE A:HEM401 0.0 20.9 1.0 ND A:HEM401 1.9 23.4 1.0 NA A:HEM401 2.0 20.0 1.0 NC A:HEM401 2.1 23.9 1.0 NB A:HEM401 2.1 21.6 1.0 O A:HOH568 2.1 20.2 1.0 SG A:CYS345 2.2 21.8 1.0 C4D A:HEM401 2.9 21.6 1.0 C1D A:HEM401 3.0 22.4 1.0 C1A A:HEM401 3.0 21.7 1.0 C4B A:HEM401 3.0 20.1 1.0 C1C A:HEM401 3.0 22.9 1.0 C4A A:HEM401 3.1 20.6 1.0 C4C A:HEM401 3.1 23.4 1.0 C1B A:HEM401 3.1 19.9 1.0 CHA A:HEM401 3.3 20.0 1.0 CHC A:HEM401 3.4 20.2 1.0 CB A:CYS345 3.4 21.0 1.0 CHD A:HEM401 3.4 22.8 1.0 CHB A:HEM401 3.5 19.8 1.0 CA A:CYS345 3.9 20.9 1.0 O A:ALA235 4.2 20.8 1.0 C2A A:HEM401 4.2 20.7 1.0 C3A A:HEM401 4.2 19.6 1.0 C3D A:HEM401 4.2 22.3 1.0 C2C A:HEM401 4.2 22.9 1.0 C2D A:HEM401 4.2 21.6 1.0 C3C A:HEM401 4.3 23.9 1.0 C3B A:HEM401 4.3 21.2 1.0 C2B A:HEM401 4.3 19.2 1.0 C A:CYS345 4.7 20.2 1.0 N9 A:EV1402 4.8 39.1 1.0 CB A:ALA235 4.8 23.3 1.0 N A:LEU346 4.8 22.0 1.0 N A:GLY347 4.9 22.3 1.0 C A:ALA235 5.0 22.1 1.0

B.D.Pardhe, H.Do, C.S.Jeong, K.H.Kim, J.H.Lee, T.J.Oh. Characterization of High-H2O2-Tolerant Bacterial Cytochrome P450 CYP105D18: Insights Into Papaverine N-Oxidation. Iucrj 684 2021.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252521005522