Magnesium in PDB 7xkw: The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp

The binding sites of Magnesium atom in the The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp (pdb code 7xkw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp, PDB code: 7xkw:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:70.2 occ:1.00 O2B A:FPS601 2.7 68.7 1.0 OD2 A:ASP318 3.1 68.2 1.0 CE1 A:HIS475 3.1 93.2 1.0 O2A A:FPS601 3.1 68.7 1.0 OD2 A:ASP322 3.5 81.4 1.0 MG A:MG603 3.6 69.5 1.0 OD1 A:ASP318 3.7 68.2 1.0 CG A:ASP318 3.7 68.2 1.0 CB A:ASP322 3.8 81.4 1.0 OE2 A:GLU470 3.9 96.7 1.0 PB A:FPS601 4.0 68.7 1.0 ND1 A:HIS475 4.0 93.2 1.0 NE2 A:HIS475 4.1 93.2 1.0 CG A:ASP322 4.1 81.4 1.0 O3A A:FPS601 4.1 68.7 1.0 NH2 A:ARG473 4.2 105.2 1.0 PA A:FPS601 4.3 68.7 1.0 O1B A:FPS601 4.6 68.7 1.0 O A:ASP318 4.7 68.2 1.0 CD A:GLU470 4.8 96.7 1.0 OD1 A:ASP319 4.8 71.9 1.0 CG1 A:VAL323 4.8 84.5 1.0 C A:ASP318 5.0 68.2 1.0

Magnesium binding site 2 out of 3 in the The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:69.5 occ:1.00 O2B A:FPS601 1.5 68.7 1.0 OD1 A:ASP318 2.2 68.2 1.0 PB A:FPS601 2.4 68.7 1.0 O3B A:FPS601 2.4 68.7 1.0 CG A:ASP318 3.1 68.2 1.0 OD2 A:ASP322 3.3 81.4 1.0 OD2 A:ASP318 3.3 68.2 1.0 O3A A:FPS601 3.4 68.7 1.0 O1B A:FPS601 3.6 68.7 1.0 MG A:MG602 3.6 70.2 1.0 CB A:ASP318 4.4 68.2 1.0 CG A:ASP322 4.5 81.4 1.0 OE1 A:GLU396 4.6 71.7 1.0 NH2 A:ARG459 4.6 54.7 1.0 O2A A:FPS601 4.7 68.7 1.0 CE1 A:TYR393 4.7 56.2 1.0 PA A:FPS601 4.7 68.7 1.0 OG A:SER418 4.8 49.9 1.0 CE1 A:HIS475 4.9 93.2 1.0 NE2 A:HIS475 4.9 93.2 1.0 O A:SER418 4.9 49.9 1.0

Magnesium binding site 3 out of 3 in the The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The 3D Strcuture of (-)-Cyperene Synthase with Substrate Analogue Fspp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:71.8 occ:1.00 O1B A:FPS601 2.7 68.7 1.0 OE1 A:GLU470 2.7 96.7 1.0 OG A:SER466 3.3 86.0 1.0 OD1 A:ASN462 3.3 67.0 1.0 OD1 A:ASP463 3.3 72.2 1.0 CD A:GLU470 3.6 96.7 1.0 O1A A:FPS601 3.7 68.7 1.0 OG A:SER478 3.9 80.2 1.0 OE2 A:GLU470 3.9 96.7 1.0 NH1 A:ARG459 4.0 54.7 1.0 CG A:ASN462 4.1 67.0 1.0 PB A:FPS601 4.1 68.7 1.0 O A:SER466 4.2 86.0 1.0 CA A:ASP463 4.3 72.2 1.0 ND2 A:ASN462 4.3 67.0 1.0 CG A:ASP463 4.4 72.2 1.0 NE2 A:HIS475 4.5 93.2 1.0 N A:ASP463 4.5 72.2 1.0 C A:SER466 4.6 86.0 1.0 CB A:SER466 4.6 86.0 1.0 PA A:FPS601 4.7 68.7 1.0 O2B A:FPS601 4.8 68.7 1.0 O3A A:FPS601 4.8 68.7 1.0 CG A:GLU470 4.9 96.7 1.0 O2A A:FPS601 4.9 68.7 1.0 CB A:ASP463 5.0 72.2 1.0 O3B A:FPS601 5.0 68.7 1.0

D.Ye, Y.Z.Shao, W.R.Li, Z.J.Cui, T.Gong, J.L.Yang, H.Q.Wang, J.G.Dai, K.P.Feng, M.Ma, S.G.Ma, Y.B.Liu, P.Zhu, S.S.Yu. Characterisation and Engineering of Two Highly Paralogous Sesquiterpene Synthases Reveal A Regioselective Reprotonation Switch. To Be Published.