Magnesium 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:

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

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The 2.4 A Crystal Structure of CYP154C5 From Nocardia Farcinica in Complex with Testosterone, PDB code: 4j6d:
Jump to Magnesium binding site number: 1; 2;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg502 b:20.9 occ:1.00 NE2 A:HIS6 1.5 57.2 1.0 OD1 A:ASP8 1.7 72.6 1.0 CG A:ASP8 2.4 75.7 1.0 OD2 A:ASP8 2.5 88.1 1.0 CD2 A:HIS6 2.5 55.6 1.0 CE1 A:HIS6 2.6 59.3 1.0 ND1 A:HIS6 3.7 57.8 1.0 CG A:HIS6 3.7 58.9 1.0 CB A:ASP8 3.9 72.8 1.0 CA A:ASP8 4.4 66.5 1.0 N A:ASP8 4.6 67.0 1.0 C A:SER7 4.9 63.6 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg503 b:20.8 occ:1.00 NE2 B:HIS6 1.7 53.0 1.0 OD1 B:ASP8 1.9 81.1 1.0 CG B:ASP8 2.5 73.3 1.0 OD2 B:ASP8 2.5 78.9 1.0 CE1 B:HIS6 2.6 56.7 1.0 CD2 B:HIS6 2.8 59.6 1.0 ND1 B:HIS6 3.8 56.6 1.0 CG B:HIS6 3.9 60.6 1.0 CB B:ASP8 4.0 68.1 1.0 CA B:ASP8 4.6 61.7 1.0 N B:ASP8 4.7 60.0 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