Magnesium in PDB 8wwq: Geniposidic Acid O-Methyltransferase Complexed with Sah and Geniposidic Acid

The structure of Geniposidic Acid O-Methyltransferase Complexed with Sah and Geniposidic Acid, PDB code: 8wwq was solved by Z.Luo, L.Li, D.Ma, H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.23 / 1.96
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.825, 103.086, 84.203, 90, 103.28, 90
R / Rfree (%)	20 / 23.4

The binding sites of Magnesium atom in the Geniposidic Acid O-Methyltransferase Complexed with Sah and Geniposidic Acid (pdb code 8wwq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Geniposidic Acid O-Methyltransferase Complexed with Sah and Geniposidic Acid, PDB code: 8wwq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Geniposidic Acid O-Methyltransferase Complexed with Sah and Geniposidic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Geniposidic Acid O-Methyltransferase Complexed with Sah and Geniposidic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:28.9 occ:1.00 O A:ARG178 2.1 24.2 1.0 O A:ASN175 2.3 27.3 1.0 O A:HOH568 2.3 21.8 1.0 O A:PHE263 2.4 25.3 1.0 OD1 A:ASN264 2.4 25.1 1.0 CG A:ASN264 3.3 25.1 1.0 C A:ARG178 3.3 25.0 1.0 C A:ASN175 3.5 27.7 1.0 C A:PHE263 3.5 25.9 1.0 O A:TYR261 3.7 31.4 1.0 ND2 A:ASN264 3.7 25.2 1.0 ND2 A:ASN175 4.0 25.4 1.0 CB A:ASN175 4.1 26.6 1.0 N A:ARG178 4.1 26.5 1.0 CG A:ASN175 4.1 26.1 1.0 N A:THR179 4.2 24.1 1.0 CA A:THR179 4.2 23.8 1.0 C A:LYS176 4.3 28.6 1.0 CA A:ASN264 4.3 24.6 1.0 N A:ASN264 4.3 25.0 1.0 CA A:ARG178 4.3 25.9 1.0 CB A:ASN264 4.4 24.8 1.0 N A:LYS176 4.4 28.4 1.0 CA A:LYS176 4.4 29.1 1.0 CA A:ASN175 4.4 27.6 1.0 N A:PHE263 4.4 28.2 1.0 O A:VAL260 4.4 29.4 1.0 O A:LYS176 4.5 28.2 1.0 CA A:PHE263 4.5 26.9 1.0 C A:TYR261 4.6 31.2 1.0 N A:SER177 4.7 28.3 1.0 C A:THR179 4.7 23.7 1.0 OD1 A:ASN175 4.8 26.2 1.0 C A:SER262 4.9 29.1 1.0

Magnesium binding site 2 out of 2 in the Geniposidic Acid O-Methyltransferase Complexed with Sah and Geniposidic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Geniposidic Acid O-Methyltransferase Complexed with Sah and Geniposidic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:38.3 occ:1.00 O B:ASN175 2.2 40.9 1.0 O B:PHE263 2.3 40.5 1.0 O B:ARG178 2.4 41.8 1.0 O B:HOH511 2.4 30.1 1.0 OD1 B:ASN264 2.5 37.8 1.0 CG B:ASN264 3.3 38.0 1.0 C B:PHE263 3.3 41.3 1.0 C B:ASN175 3.4 41.0 1.0 C B:ARG178 3.6 41.9 1.0 ND2 B:ASN175 3.7 38.5 1.0 O B:TYR261 3.8 51.2 1.0 ND2 B:ASN264 3.8 38.4 1.0 CG B:ASN175 4.0 38.1 1.0 CB B:ASN175 4.0 38.8 1.0 N B:PHE263 4.1 45.5 1.0 N B:ASN264 4.2 39.5 1.0 CA B:ASN264 4.2 37.6 1.0 N B:ARG178 4.3 42.6 1.0 N B:LYS176 4.3 42.6 1.0 CA B:ASN175 4.3 39.8 1.0 CA B:PHE263 4.3 44.5 1.0 CB B:ASN264 4.3 37.4 1.0 CA B:LYS176 4.3 45.1 1.0 CA B:THR179 4.4 33.2 1.0 C B:LYS176 4.4 45.2 1.0 O B:VAL260 4.4 52.6 1.0 N B:THR179 4.4 33.4 1.0 O B:LYS176 4.5 47.3 1.0 CA B:ARG178 4.6 42.5 1.0 C B:TYR261 4.6 51.3 1.0 OD1 B:ASN175 4.7 38.0 1.0 C B:SER262 4.7 46.4 1.0 C B:THR179 4.8 32.4 1.0 N B:SER177 4.9 43.6 1.0

L.Li, Z.Luo, W.Wei, R.Zhan, H.Zhou, D.Ma. Structural Insights Into the Substrate Specificity of Gamt and Divergence of Seco-Iridoid and Closed-Ring Iridoid To Be Published.