Magnesium in PDB 8gxo: The Crystal Structure of CSFAOMT1 in Complex with Sah

All present enzymatic activity of The Crystal Structure of CSFAOMT1 in Complex with Sah:
2.1.1.104;

The structure of The Crystal Structure of CSFAOMT1 in Complex with Sah, PDB code: 8gxo was solved by Z.M.Zhang, Y.E.Zhou, H.S.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.26 / 1.74
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.899, 99.899, 99.03, 90, 90, 120
R / Rfree (%)	18.6 / 22.1

The binding sites of Magnesium atom in the The Crystal Structure of CSFAOMT1 in Complex with Sah (pdb code 8gxo). 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 The Crystal Structure of CSFAOMT1 in Complex with Sah, PDB code: 8gxo:

Magnesium binding site 1 out of 1 in the The Crystal Structure of CSFAOMT1 in Complex with Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of CSFAOMT1 in Complex with Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:39.6 occ:1.00 OD2 A:ASP179 2.6 35.7 1.0 OD2 A:ASP153 2.8 31.2 1.0 O A:HOH546 2.8 45.2 1.0 O A:LEU50 2.9 26.6 1.0 O A:HOH553 3.3 37.2 1.0 OD1 A:ASP153 3.3 31.1 1.0 CG A:ASP153 3.4 31.3 1.0 O A:HOH585 3.4 46.2 1.0 N A:VAL52 3.4 22.7 1.0 CG2 A:VAL52 3.6 28.3 1.0 CA A:VAL52 3.6 23.4 1.0 C A:SER51 3.6 24.5 1.0 O A:SER51 3.8 25.0 1.0 CG A:ASP179 3.8 31.8 1.0 C A:LEU50 4.0 25.4 1.0 OD1 A:ASN180 4.1 36.6 1.0 CB A:VAL52 4.2 25.6 1.0 O A:HOH539 4.4 38.6 1.0 CB A:SAH301 4.4 22.4 1.0 CA A:SER51 4.5 23.5 1.0 CB A:ASP179 4.5 23.4 1.0 OD1 A:ASP179 4.7 35.7 1.0 N A:SER51 4.7 24.5 1.0 N A:SAH301 4.7 24.8 1.0 CD A:PRO53 4.8 27.9 1.0 CB A:ASP153 4.9 24.6 1.0 C A:VAL52 4.9 23.2 1.0 O A:SAH301 5.0 23.2 1.0 CA A:SAH301 5.0 23.9 1.0

J.Q.Jin, F.R.Qu, H.Huang, Q.S.Liu, M.Y.Wei, Y.Zhou, K.L.Huang, Z.Cui, J.D.Chen, W.D.Dai, L.Zhu, M.Z.Yao, Z.M.Zhang, L.Chen. Characterization of Two O-Methyltransferases Involved in the Biosynthesis of O-Methylated Catechins in Tea Plant. Nat Commun V. 14 5075 2023.
ISSN: ESSN 2041-1723
PubMed: 37604798
DOI: 10.1038/S41467-023-40868-9