Iron in PDB 6wpl: Structure of Cytochrome P450TCU

The structure of Structure of Cytochrome P450TCU, PDB code: 6wpl was solved by V.C.Murarka, D.Batabyal, J.A.Amaya, I.F.Sevrioukova, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.42 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.420, 56.993, 189.373, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.7

The structure of Structure of Cytochrome P450TCU also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Iron atom in the Structure of Cytochrome P450TCU (pdb code 6wpl). 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 Structure of Cytochrome P450TCU, PDB code: 6wpl:

Iron binding site 1 out of 1 in the Structure of Cytochrome P450TCU


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Cytochrome P450TCU within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:18.8 occ:1.00 FE A:HEM501 0.0 18.8 1.0 ND A:HEM501 2.0 22.3 1.0 NC A:HEM501 2.0 23.3 1.0 NA A:HEM501 2.1 13.6 1.0 NB A:HEM501 2.1 17.0 1.0 SG A:CYS357 2.3 16.1 1.0 O5 A:CAH502 2.8 23.0 0.6 C1D A:HEM501 3.0 24.9 1.0 C4C A:HEM501 3.0 23.5 1.0 C4D A:HEM501 3.1 21.6 1.0 C4A A:HEM501 3.1 18.9 1.0 C1B A:HEM501 3.1 17.4 1.0 C1C A:HEM501 3.1 20.2 1.0 C1A A:HEM501 3.1 18.7 1.0 C4B A:HEM501 3.2 17.4 1.0 CB A:CYS357 3.2 18.6 1.0 CHD A:HEM501 3.3 25.1 1.0 CHB A:HEM501 3.4 15.0 1.0 CHA A:HEM501 3.5 18.9 1.0 CHC A:HEM501 3.5 19.6 1.0 C5 A:CAH502 3.9 25.6 0.6 CA A:CYS357 4.0 17.8 1.0 C3 A:CAH502 4.1 25.6 0.3 O2 A:CAH502 4.1 24.3 0.3 C4 A:CAH502 4.2 26.6 0.6 C2D A:HEM501 4.2 21.2 1.0 C3D A:HEM501 4.3 21.2 1.0 C9 A:CAH502 4.3 24.6 0.6 C3C A:HEM501 4.3 25.4 1.0 C2C A:HEM501 4.3 22.4 1.0 C2B A:HEM501 4.3 16.5 1.0 C3A A:HEM501 4.3 17.9 1.0 C2A A:HEM501 4.3 19.4 1.0 C3B A:HEM501 4.4 14.2 1.0 C2 A:CAH502 4.5 25.1 0.3 N A:GLY359 4.6 20.7 1.0 C A:CYS357 4.7 21.7 1.0 N A:LEU358 4.7 16.2 1.0 C7 A:CAH502 4.9 25.6 0.6

V.C.Murarka, D.Batabyal, J.A.Amaya, I.F.Sevrioukova, T.L.Poulos. Unexpected Differences Between Two Closely Related Bacterial P450 Camphor Monooxygenases. Biochemistry V. 59 2743 2020.
ISSN: ISSN 0006-2960
PubMed: 32551522
DOI: 10.1021/ACS.BIOCHEM.0C00366