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

The structure of The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Androstenedione, PDB code: 4jbt 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)	51.40 / 2.20
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	102.800, 102.800, 217.520, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 24.8

The structure of The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Androstenedione 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 Androstenedione (pdb code 4jbt). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Androstenedione, PDB code: 4jbt:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Androstenedione


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 Androstenedione within 5.0Å range: probe atom residue distance (Å) B Occ A:K505 b:52.6 occ:1.00 OD1 A:ASP88 3.2 53.5 1.0 O A:ASP86 3.9 27.2 1.0 OD1 A:ASP86 3.9 31.5 1.0 C A:VAL87 4.2 32.3 1.0 OD2 A:ASP86 4.3 29.4 1.0 CG A:ASP86 4.3 28.9 1.0 C A:ASP86 4.3 28.3 1.0 CA A:VAL87 4.4 31.1 1.0 O A:VAL87 4.4 32.9 1.0 CG A:ASP88 4.4 43.9 1.0 N A:ASP88 4.4 33.7 1.0 N A:VAL87 4.5 28.7 1.0 O A:HOH742 4.7 21.6 1.0 NH1 A:ARG77 4.7 36.7 1.0 O A:HOH677 4.8 22.3 1.0 CA A:ASP88 4.8 36.9 1.0 O A:HOH693 4.8 26.1 1.0

Potassium binding site 2 out of 3 in the The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Androstenedione


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Androstenedione within 5.0Å range: probe atom residue distance (Å) B Occ B:K504 b:56.6 occ:1.00 OD1 B:ASP86 3.7 31.7 1.0 OD1 B:ASP88 3.8 51.4 1.0 OD2 B:ASP86 3.9 30.7 1.0 O B:ASP86 4.0 26.0 1.0 CG B:ASP86 4.0 32.4 1.0 NH1 B:ARG77 4.3 32.9 1.0 O B:HOH626 4.3 26.2 1.0 C B:ASP86 4.5 28.8 1.0 O B:HOH668 4.8 27.6 1.0 C B:VAL87 4.8 35.4 1.0 CZ B:ARG77 4.8 34.4 1.0 CA B:VAL87 4.9 35.6 1.0 N B:VAL87 4.9 30.9 1.0 CG B:ASP88 4.9 49.5 1.0 O B:VAL87 5.0 38.2 1.0

Potassium binding site 3 out of 3 in the The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Androstenedione


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of The 2.2 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Androstenedione within 5.0Å range: probe atom residue distance (Å) B Occ B:K505 b:42.7 occ:1.00 OD1 B:ASP132 2.2 30.6 1.0 O B:HOH697 2.2 21.9 1.0 O B:HOH681 2.3 19.3 1.0 O B:HOH698 2.3 26.2 1.0 CG B:ASP132 3.2 33.6 1.0 OD2 B:ASP132 3.6 33.1 1.0 NH2 B:ARG135 4.0 64.7 1.0 O B:GLU128 4.3 27.2 1.0 CG B:GLU128 4.3 32.4 1.0 OE2 B:GLU128 4.4 38.5 1.0 CB B:ASP132 4.6 30.7 1.0 CA B:ASP132 4.8 30.7 1.0 CD B:GLU128 4.8 32.5 1.0 N B:ASP132 4.9 29.8 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