Magnesium in PDB 1hxa: Crystal Structure of Teas W273S Form 2

All present enzymatic activity of Crystal Structure of Teas W273S Form 2:
4.1.99.7;

The structure of Crystal Structure of Teas W273S Form 2, PDB code: 1hxa was solved by C.S.Starks, K.A.Rising, J.Chappell, J.P.Noel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.32
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	125.650, 125.650, 119.950, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 24.6

The binding sites of Magnesium atom in the Crystal Structure of Teas W273S Form 2 (pdb code 1hxa). 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 Teas W273S Form 2, PDB code: 1hxa:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Teas W273S Form 2


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 Teas W273S Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg851 b:59.7 occ:1.00 O A:HOH662 2.3 31.4 1.0 OG1 A:THR448 2.3 41.5 1.0 O2A A:FHP900 2.4 60.1 0.7 OD2 A:ASP444 2.5 34.8 1.0 OE2 A:GLU452 2.5 58.9 1.0 O A:HOH666 2.6 33.9 1.0 CD A:GLU452 2.8 56.3 1.0 OE1 A:GLU452 2.9 54.8 1.0 CB A:THR448 3.3 42.4 1.0 CG A:ASP444 3.4 31.2 1.0 OD1 A:ASP444 3.6 31.3 1.0 PA A:FHP900 3.6 60.2 0.7 O A:ASP444 3.9 33.1 1.0 CG2 A:THR448 3.9 39.2 1.0 CG A:GLU452 4.0 57.6 1.0 NH2 A:ARG441 4.1 33.3 1.0 O1A A:FHP900 4.1 61.4 0.7 O A:HOH732 4.2 62.0 1.0 O3A A:FHP900 4.2 60.1 0.7 OD1 A:ASP445 4.3 31.3 1.0 C A:ASP444 4.4 32.0 1.0 CA A:THR448 4.6 40.8 1.0 CB A:ASP444 4.7 31.2 1.0 CA A:ASP445 4.7 33.6 1.0 MG A:MG853 4.7 76.7 1.0 N A:ASP445 4.8 30.8 1.0 O A:THR448 4.8 42.4 1.0 C A:THR448 4.9 42.5 1.0 C1 A:FHP900 5.0 58.6 0.7

Magnesium binding site 2 out of 3 in the Crystal Structure of Teas W273S Form 2


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 Teas W273S Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg852 b:51.1 occ:1.00 OD1 A:ASP305 2.5 70.2 1.0 OD1 A:ASP301 2.6 45.2 1.0 O A:HOH718 2.7 50.7 1.0 O A:HOH773 2.7 41.3 1.0 OE2 A:GLU379 3.6 54.9 1.0 CG A:ASP301 3.6 41.7 1.0 OE1 A:GLU379 3.7 57.2 1.0 CG A:ASP305 3.7 69.7 1.0 CE2 A:TYR376 3.8 38.1 1.0 CD A:GLU379 3.9 53.5 1.0 CD2 A:TYR376 3.9 37.3 1.0 OD2 A:ASP301 4.1 47.9 1.0 O A:ASP301 4.2 36.1 1.0 OD2 A:ASP305 4.3 70.2 1.0 MG A:MG853 4.5 76.7 1.0 CZ A:TYR376 4.6 38.1 1.0 CA A:ASP301 4.7 37.7 1.0 CG A:TYR376 4.7 37.0 1.0 O1A A:FHP900 4.7 61.4 0.7 CB A:ASP301 4.7 39.4 1.0 CB A:PHE304 4.8 47.8 1.0 C A:ASP301 4.8 38.3 1.0 CB A:ASP305 4.8 66.9 1.0 O A:HOH670 4.9 30.0 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Teas W273S Form 2


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 Teas W273S Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg853 b:76.7 occ:1.00 O A:HOH773 2.5 41.3 1.0 O1A A:FHP900 2.9 61.4 0.7 OE2 A:GLU452 3.1 58.9 1.0 O3A A:FHP900 3.1 60.1 0.7 O A:HOH718 3.3 50.7 1.0 NE2 A:GLN457 3.3 61.8 1.0 O A:HOH732 3.4 62.0 1.0 PA A:FHP900 3.4 60.2 0.7 OD2 A:ASP305 3.8 70.2 1.0 OE1 A:GLU379 3.9 57.2 1.0 CD A:GLU452 4.2 56.3 1.0 O2A A:FHP900 4.2 60.1 0.7 CD A:GLN457 4.3 60.8 1.0 OE1 A:GLN457 4.4 61.5 1.0 OD1 A:ASP305 4.5 70.2 1.0 MG A:MG852 4.5 51.1 1.0 CG A:ASP305 4.5 69.7 1.0 MG A:MG851 4.7 59.7 1.0 O A:HOH666 4.9 33.9 1.0 OE1 A:GLU452 4.9 54.8 1.0 O A:HOH801 5.0 70.5 1.0 CG A:GLU452 5.0 57.6 1.0

C.S.Starks, K.A.Rising, J.Chappell, J.P.Noel. Single Active Site Mutations Change the Specificity of A Sesquiterpene Cyclase To Be Published.