Magnesium in PDB 7e4n: Crystal Structure of SAT1646

The structure of Crystal Structure of SAT1646, PDB code: 7e4n was solved by J.H.Yu, B.Y.Xing, M.Ma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.61 / 1.94
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.017, 89.017, 68.674, 90, 90, 90
R / Rfree (%)	19.5 / 24.7

The binding sites of Magnesium atom in the Crystal Structure of SAT1646 (pdb code 7e4n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of SAT1646, PDB code: 7e4n:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of SAT1646


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of SAT1646 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:50.1 occ:1.00 OD2 A:ASP88 2.7 44.1 1.0 O A:ASN182 2.7 31.6 1.0 OD1 A:ASP88 3.1 43.0 1.0 CG A:ASP88 3.2 42.8 1.0 MG A:MG302 3.4 59.3 1.0 C A:ASN182 3.6 36.2 1.0 O A:HOH442 3.7 39.6 1.0 CA A:TYR183 4.0 33.3 1.0 O A:HOH402 4.1 47.4 1.0 ND2 A:ASN182 4.2 44.7 1.0 N A:TYR183 4.2 32.9 1.0 C A:TYR183 4.4 30.9 1.0 O A:TYR183 4.4 32.9 1.0 CG A:ASN182 4.4 38.0 1.0 CB A:ASP88 4.6 34.0 1.0 NH2 A:ARG220 4.6 39.8 1.0 OD1 A:ASP158 4.7 45.3 1.0 CB A:ASN182 4.7 37.3 1.0 CA A:ASN182 4.7 33.9 1.0 CG1 A:VAL84 4.9 33.6 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of SAT1646


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of SAT1646 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:59.3 occ:1.00 OD1 A:ASP92 3.0 57.1 1.0 OD1 A:ASP88 3.2 43.0 1.0 CG A:ASP88 3.2 42.8 1.0 OD2 A:ASP92 3.2 69.7 1.0 O A:HOH402 3.3 47.4 1.0 CG A:ASP92 3.4 61.6 1.0 MG A:MG301 3.4 50.1 1.0 OD2 A:ASP88 3.6 44.1 1.0 CB A:ASP88 3.6 34.0 1.0 CA A:ASP88 4.1 34.2 1.0 OE2 A:GLU161 4.4 59.3 1.0 O A:ASP88 4.4 37.9 1.0 OD1 A:ASP158 4.5 45.3 1.0 C A:ASP88 4.7 39.4 1.0 CB A:ASP92 4.8 54.0 1.0 NH1 A:ARG165 4.8 70.0 1.0 ND2 A:ASN182 4.9 44.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of SAT1646


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of SAT1646 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:64.1 occ:1.00 OD1 A:ASN223 3.4 43.3 1.0 OD1 A:ASP231 3.6 56.0 1.0 OG A:SER227 3.8 51.5 1.0 CB A:SER227 3.9 45.6 1.0 ND2 A:ASN223 4.1 40.2 1.0 O A:HOH451 4.2 45.3 1.0 OD2 A:ASP231 4.2 49.1 1.0 CG A:ASN223 4.2 39.6 1.0 CG A:ASP231 4.3 55.7 1.0 NH2 A:ARG230 4.5 98.3 1.0

J.H.Yu, B.Y.Xing, M.Ma. Class I Pimarane-Type Diterpene Synthases SAT1646 Complexed with Magnesium Ions To Be Published.