Magnesium in PDB 7e9r: Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S

The structure of Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S, PDB code: 7e9r was solved by S.Singh, H.V.Thulasiram, K.A.Kulkarni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.62 / 3.41
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	81.877, 82.058, 136.83, 99.77, 91.55, 119.78
R / Rfree (%)	21.9 / 28.3

The binding sites of Magnesium atom in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S (pdb code 7e9r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S, PDB code: 7e9r:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S


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 Sesquisabinene B Synthase 1 Mutant T313S within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:19.1 occ:1.00 OD1 A:ASP316 3.7 38.7 1.0 CB A:ASP320 4.2 41.2 1.0 OD1 A:ASP320 4.3 70.6 1.0 CG A:ASP320 4.4 58.9 1.0 CG A:ASP316 4.5 37.6 1.0 O A:ASP316 4.5 36.1 1.0 CE1 A:TYR391 4.5 36.6 1.0 CZ A:TYR391 4.6 38.0 1.0 CD1 A:TYR391 4.7 33.0 1.0 CE2 A:TYR391 4.7 32.7 1.0 CD2 A:TYR391 4.8 33.7 1.0 CG A:TYR391 4.8 31.9 1.0 OE1 A:GLU394 4.9 35.7 1.0 CA A:ASP316 4.9 35.0 1.0

Magnesium binding site 2 out of 8 in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S


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 Sesquisabinene B Synthase 1 Mutant T313S within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:19.0 occ:1.00 OD1 A:ASN341 4.6 48.6 1.0 CA A:ASN341 4.9 44.9 1.0 O A:ILE340 4.9 40.2 1.0 CG1 A:ILE340 5.0 33.5 1.0

Magnesium binding site 3 out of 8 in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S


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 Sesquisabinene B Synthase 1 Mutant T313S within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:25.7 occ:1.00 OD1 B:ASP320 2.7 54.4 1.0 CG B:ASP320 3.7 59.1 1.0 CE1 B:TYR391 3.8 33.8 1.0 CD1 B:TYR391 3.9 31.5 1.0 OE1 B:GLU394 3.9 39.0 1.0 OD2 B:ASP320 4.0 72.1 1.0 OD1 B:ASP316 4.2 50.5 1.0 OD2 B:ASP316 4.3 64.2 1.0 CG B:ASP316 4.4 53.7 1.0 CZ B:TYR391 4.5 36.7 1.0 CG B:TYR391 4.5 28.5 1.0

Magnesium binding site 4 out of 8 in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:19.7 occ:1.00 O B:ILE340 4.3 37.0 1.0 CG1 B:ILE340 4.5 23.3 1.0 CD1 B:ILE340 4.7 22.7 1.0 C B:ILE340 4.8 35.3 1.0 CA B:ASN341 4.8 32.6 1.0 OD1 B:ASN341 4.9 46.6 1.0

Magnesium binding site 5 out of 8 in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:28.2 occ:1.00 OD1 C:ASP320 2.6 64.8 1.0 OD2 C:ASP320 2.8 83.4 1.0 CG C:ASP320 3.1 68.7 1.0 CE1 C:TYR391 3.7 29.1 1.0 OE1 C:GLU394 3.8 59.0 1.0 CD1 C:TYR391 3.9 30.9 1.0 CZ C:TYR391 4.1 27.6 1.0 CG C:TYR391 4.4 29.5 1.0 CE2 C:TYR391 4.5 26.8 1.0 OH C:TYR391 4.6 33.7 1.0 CD2 C:TYR391 4.6 28.0 1.0 CB C:ASP320 4.6 53.8 1.0 OD2 C:ASP316 4.8 38.8 1.0 CG C:ASP316 4.9 32.7 1.0 CD C:GLU394 5.0 52.3 1.0 OD1 C:ASP316 5.0 30.8 1.0

Magnesium binding site 6 out of 8 in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:21.0 occ:1.00 CG1 C:ILE340 4.5 28.6 1.0 CD1 C:ILE340 4.6 27.9 1.0 O C:ILE340 4.8 37.4 1.0 OD1 C:ASN341 4.8 40.5 1.0 CA C:ASN341 5.0 39.8 1.0

Magnesium binding site 7 out of 8 in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:16.3 occ:1.00 OD1 D:ASP320 2.8 45.8 1.0 OE1 D:GLU394 3.7 41.8 1.0 OD1 D:ASP316 3.8 34.7 1.0 CG D:ASP320 4.0 46.0 1.0 CD1 D:TYR391 4.3 24.9 1.0 CG D:TYR391 4.3 24.6 1.0 CD2 D:TYR391 4.5 24.2 1.0 CE1 D:TYR391 4.6 24.6 1.0 OD2 D:ASP320 4.8 49.0 1.0 CE2 D:TYR391 4.8 24.0 1.0 CB D:TYR391 4.8 24.9 1.0 CZ D:TYR391 4.8 24.2 1.0 CB D:TYR319 4.9 34.6 1.0 CD D:GLU394 4.9 45.5 1.0 CA D:TYR391 4.9 25.4 1.0 CB D:ASP320 4.9 42.3 1.0 CG D:ASP316 4.9 31.9 1.0

Magnesium binding site 8 out of 8 in the Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg602 b:9.3 occ:1.00 CG1 D:ILE340 4.8 30.1 1.0 O D:ILE340 4.9 39.9 1.0

S.Singh, H.V.Thulasiram, K.A.Kulkarni. Crystal Structure of Sesquisabinene B Synthase 1 Mutant T313S To Be Published.