Potassium in PDB 4j6d: The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone

The structure of The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone, PDB code: 4j6d 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)	82.57 / 2.40
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	102.990, 102.990, 218.420, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 24.4

The structure of The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone also contains other interesting chemical elements:

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

The binding sites of Potassium atom in the The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone (pdb code 4j6d). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone, PDB code: 4j6d:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone within 5.0Å range: probe atom residue distance (Å) B Occ A:K505 b:82.9 occ:1.00 O A:ASP86 3.8 31.2 1.0 OD1 A:ASP86 4.0 32.6 1.0 OD1 A:ASP88 4.2 54.9 1.0 OD2 A:ASP86 4.4 36.2 1.0 C A:VAL87 4.4 38.1 1.0 CG A:ASP86 4.4 37.2 1.0 O A:VAL87 4.5 35.3 1.0 O A:HOH736 4.5 39.4 1.0 C A:ASP86 4.5 34.5 1.0 CA A:VAL87 4.6 37.1 1.0 N A:ASP88 4.7 41.5 1.0 O A:HOH713 4.7 54.2 1.0 CG A:ASP88 4.7 58.7 1.0 NH1 A:ARG77 4.7 48.0 1.0 N A:VAL87 4.9 39.3 1.0 CA A:ASP88 5.0 48.1 1.0

Potassium binding site 2 out of 2 in the The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone within 5.0Å range: probe atom residue distance (Å) B Occ B:K505 b:81.3 occ:1.00 O B:ASP86 3.5 38.1 1.0 OD1 B:ASP86 3.9 39.0 1.0 NH1 B:ARG77 4.2 47.6 1.0 OD2 B:ASP86 4.2 42.6 1.0 CG B:ASP86 4.2 43.8 1.0 O B:HOH743 4.2 37.6 1.0 C B:ASP86 4.3 40.8 1.0 OD1 B:ASP88 4.5 68.3 1.0 C B:VAL87 4.5 46.8 1.0 CA B:VAL87 4.6 44.9 1.0 O B:HOH624 4.6 41.7 1.0 O B:VAL87 4.7 49.9 1.0 N B:VAL87 4.8 45.4 1.0 O B:HOH676 4.8 44.4 1.0 CZ B:ARG77 4.8 44.3 1.0 N B:ASP88 4.9 51.9 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