Magnesium in PDB 5hiw: Sorangium Cellulosum So CE56 Cytochrome P450 260B1

The structure of Sorangium Cellulosum So CE56 Cytochrome P450 260B1, PDB code: 5hiw was solved by S.G.Salamanca-Pinzon, Y.Carius, Y.Khatri, R.Bernhardt, C.R.D.Lancaster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.30 / 1.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.420, 60.420, 190.820, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 21.9

The structure of Sorangium Cellulosum So CE56 Cytochrome P450 260B1 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Sorangium Cellulosum So CE56 Cytochrome P450 260B1 (pdb code 5hiw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Sorangium Cellulosum So CE56 Cytochrome P450 260B1, PDB code: 5hiw:

Magnesium binding site 1 out of 1 in the Sorangium Cellulosum So CE56 Cytochrome P450 260B1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Sorangium Cellulosum So CE56 Cytochrome P450 260B1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:26.8 occ:1.00 O A:HOH562 2.2 22.9 1.0 O A:HOH540 2.3 20.7 1.0 O A:HOH708 2.5 31.3 1.0 O A:HOH652 2.5 23.4 1.0 O A:HOH691 2.6 23.9 1.0 O A:HOH657 2.6 26.0 1.0 OH A:TYR337 3.9 18.9 1.0 O A:HOH555 3.9 19.0 1.0 O A:HOH734 4.0 35.8 1.0 N A:GLY327 4.2 19.5 1.0 O A:MET328 4.2 16.7 1.0 CE2 A:TYR337 4.3 18.8 1.0 O A:HOH554 4.4 16.1 1.0 N A:MET328 4.5 19.4 1.0 CZ A:TYR337 4.5 17.6 1.0 CA A:GLY327 4.5 20.9 1.0 NH2 A:ARG345 4.5 22.2 1.0 O A:HOH556 4.6 27.9 1.0 O A:HOH736 4.6 39.0 1.0 O A:HOH596 4.7 22.5 1.0 C A:GLY327 4.8 22.5 1.0

S.G.Salamanca-Pinzon, Y.Khatri, Y.Carius, L.Keller, R.Muller, C.R.Lancaster, R.Bernhardt. Structure-Function Analysis For the Hydroxylation of Delta 4 C21-Steroids By the Myxobacterial CYP260B1. Febs Lett. V. 590 1838 2016.
ISSN: ISSN 0014-5793
PubMed: 27177597
DOI: 10.1002/1873-3468.12217