Magnesium in PDB 4dtw: Cytochrome P450 BM3H-8C8 Mri Sensor Bound to Serotonin

All present enzymatic activity of Cytochrome P450 BM3H-8C8 Mri Sensor Bound to Serotonin:
1.14.14.1;

The structure of Cytochrome P450 BM3H-8C8 Mri Sensor Bound to Serotonin, PDB code: 4dtw was solved by E.M.Brustad, V.S.Lelyveld, C.D.Snow, N.Crook, F.M.Martinez, T.J.Scholl, A.Jasanoff, F.H.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.87 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.606, 146.249, 64.064, 90.00, 97.51, 90.00
R / Rfree (%)	19.2 / 25.4

The structure of Cytochrome P450 BM3H-8C8 Mri Sensor Bound to Serotonin also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Magnesium atom in the Cytochrome P450 BM3H-8C8 Mri Sensor Bound to Serotonin (pdb code 4dtw). 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 Cytochrome P450 BM3H-8C8 Mri Sensor Bound to Serotonin, PDB code: 4dtw:

Magnesium binding site 1 out of 1 in the Cytochrome P450 BM3H-8C8 Mri Sensor Bound to Serotonin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cytochrome P450 BM3H-8C8 Mri Sensor Bound to Serotonin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:34.8 occ:1.00 O B:HOH766 2.0 26.5 1.0 O B:HOH1030 2.0 37.9 1.0 O B:HOH972 2.1 26.3 1.0 O B:HOH975 2.2 30.9 1.0 O B:HOH974 2.3 29.9 1.0 O B:HOH973 3.7 27.0 1.0 OD1 B:ASN283 3.9 16.3 1.0 O B:HOH674 3.9 22.9 1.0 OE1 B:GLU286 4.1 26.6 1.0 O B:PHE374 4.3 17.9 1.0 OE2 B:GLU286 4.4 20.9 1.0 O B:HOH603 4.5 26.6 1.0 OE1 B:GLU373 4.5 41.0 1.0 CD B:GLU286 4.6 24.5 1.0 O B:HOH686 4.6 32.9 1.0 CG B:ASN283 4.9 15.7 1.0 O B:HOH990 5.0 26.6 1.0

E.M.Brustad, V.S.Lelyveld, C.D.Snow, N.Crook, S.T.Jung, F.M.Martinez, T.J.Scholl, A.Jasanoff, F.H.Arnold. Structure-Guided Directed Evolution of Highly Selective P450-Based Magnetic Resonance Imaging Sensors For Dopamine and Serotonin. J.Mol.Biol. V. 422 245 2012.
ISSN: ISSN 0022-2836
PubMed: 22659321
DOI: 10.1016/J.JMB.2012.05.029