Potassium in PDB 4j6c: The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone

The structure of The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone, PDB code: 4j6c 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)	82.55 / 1.90
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	102.999, 102.999, 217.860, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 23.8

The structure of The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone also contains other interesting chemical elements:

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

The binding sites of Potassium atom in the The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone (pdb code 4j6c). 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 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone, PDB code: 4j6c:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone within 5.0Å range: probe atom residue distance (Å) B Occ A:K505 b:72.7 occ:1.00 O A:HOH941 3.3 40.7 1.0 OD1 A:ASP86 3.7 23.2 1.0 O A:ASP86 3.7 21.6 1.0 OD1 A:ASP88 3.8 37.0 1.0 O A:HOH760 3.9 41.9 1.0 CG A:ASP86 4.1 24.9 1.0 OD2 A:ASP86 4.2 28.6 1.0 C A:ASP86 4.3 21.9 1.0 C A:VAL87 4.4 24.7 1.0 CA A:VAL87 4.5 22.7 1.0 O A:VAL87 4.5 22.2 1.0 NH1 A:ARG77 4.6 26.1 1.0 N A:VAL87 4.6 21.5 1.0 O A:HOH608 4.7 26.2 1.0 O A:HOH624 4.7 20.8 1.0 N A:ASP88 4.7 26.7 1.0 O A:HOH639 4.8 26.6 1.0

Potassium binding site 2 out of 2 in the The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone within 5.0Å range: probe atom residue distance (Å) B Occ B:K504 b:70.2 occ:1.00 O B:HOH826 3.7 41.7 1.0 O B:ASP86 3.7 24.3 1.0 OD1 B:ASP86 3.8 25.2 1.0 OD1 B:ASP88 3.8 36.5 1.0 CG B:ASP86 4.2 27.0 1.0 C B:ASP86 4.3 23.8 1.0 OD2 B:ASP86 4.3 28.5 1.0 C B:VAL87 4.4 27.8 1.0 NH1 B:ARG77 4.4 28.7 1.0 CA B:VAL87 4.5 25.3 1.0 N B:VAL87 4.6 24.2 1.0 O B:HOH626 4.7 24.4 1.0 O B:HOH634 4.7 27.7 1.0 O B:VAL87 4.7 24.6 1.0 N B:ASP88 4.7 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