Potassium in PDB 4j6b: The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Pregnenolone

The structure of The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Pregnenolone, PDB code: 4j6b was solved by K.Herzog, K.M.Hoffmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.63 / 2.20
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	103.120, 103.120, 217.830, 90.00, 90.00, 120.00
R / Rfree (%)	15.6 / 20.2

The structure of The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Pregnenolone also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Iron	(Fe)	2 atoms

The binding sites of Potassium atom in the The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Pregnenolone (pdb code 4j6b). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Pregnenolone, PDB code: 4j6b:

Potassium binding site 1 out of 1 in the The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Pregnenolone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Pregnenolone within 5.0Å range: probe atom residue distance (Å) B Occ A:K505 b:82.3 occ:1.00 OD1 A:ASP88 3.7 56.2 1.0 O A:ASP86 3.7 34.4 1.0 OD1 A:ASP86 3.8 31.8 1.0 C A:VAL87 4.2 37.9 1.0 CG A:ASP86 4.3 36.7 1.0 C A:ASP86 4.3 33.5 1.0 O A:VAL87 4.4 36.0 1.0 OD2 A:ASP86 4.4 39.4 1.0 CA A:VAL87 4.4 35.3 1.0 N A:VAL87 4.6 34.0 1.0 N A:ASP88 4.6 40.8 1.0 O A:HOH852 4.6 43.5 1.0 O A:HOH692 4.7 34.2 1.0 CG A:ASP88 4.7 53.3 1.0 NH1 A:ARG77 4.7 43.6 1.0 O A:HOH667 4.7 38.5 1.0 CA A:ASP88 5.0 44.9 1.0

K.Herzog, P.Bracco, A.Onoda, T.Hayashi, K.Hoffmann, A.Schallmey. Enzyme-Substrate Complex Structures of CYP154C5 Shed Light on Its Mode of Highly Selective Steroid Hydroxylation. Acta Crystallogr.,Sect.D V. 70 2875 2014.
ISSN: ISSN 0907-4449
PubMed: 25372679
DOI: 10.1107/S1399004714019129