Magnesium 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:

Potassium	(K)	2 atoms
Iron	(Fe)	2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The 1.9 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Progesterone, PDB code: 4j6c:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg503 b:10.8 occ:1.00 NE2 A:HIS6 1.7 33.0 1.0 OD1 A:ASP8 1.8 44.3 1.0 CE1 A:HIS6 2.5 35.1 1.0 CG A:ASP8 2.8 42.1 1.0 CD2 A:HIS6 2.8 37.7 1.0 OD2 A:ASP8 3.1 46.9 1.0 O A:HOH804 3.7 30.8 1.0 ND1 A:HIS6 3.7 35.4 1.0 CG A:HIS6 3.9 38.0 1.0 CB A:ASP8 4.1 38.7 1.0 CA A:ASP8 4.5 35.4 1.0 N A:ASP8 4.6 32.9 1.0 O A:HOH918 4.7 47.8 1.0 C A:SER7 4.8 35.5 1.0 O A:SER7 4.9 33.9 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg502 b:10.7 occ:1.00 NE2 B:HIS6 1.7 33.9 1.0 OD1 B:ASP8 1.9 45.3 1.0 CE1 B:HIS6 2.6 36.5 1.0 CG B:ASP8 2.8 42.2 1.0 CD2 B:HIS6 2.9 38.1 1.0 OD2 B:ASP8 3.2 45.4 1.0 O B:HOH793 3.6 38.5 1.0 ND1 B:HIS6 3.8 37.0 1.0 CG B:HIS6 3.9 37.8 1.0 CB B:ASP8 4.2 38.4 1.0 CA B:ASP8 4.6 35.1 1.0 N B:ASP8 4.7 33.2 1.0 C B:SER7 4.9 35.4 1.0 O B:SER7 4.9 33.4 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