Magnesium in PDB 6x6u: WOR5 From Pyrococcus Furiosus, Taurine-Bound

The structure of WOR5 From Pyrococcus Furiosus, Taurine-Bound, PDB code: 6x6u was solved by W.N.Lanzilotta, L.G.Mathew, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.16 / 1.94
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	125.148, 127.501, 140.712, 90, 90, 90
R / Rfree (%)	17 / 19.6

The structure of WOR5 From Pyrococcus Furiosus, Taurine-Bound also contains other interesting chemical elements:

Tungsten	(W)	2 atoms
Chlorine	(Cl)	3 atoms
Iron	(Fe)	40 atoms

The binding sites of Magnesium atom in the WOR5 From Pyrococcus Furiosus, Taurine-Bound (pdb code 6x6u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the WOR5 From Pyrococcus Furiosus, Taurine-Bound, PDB code: 6x6u:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:25.5 occ:1.00 MG1 A:PTE701 0.0 25.5 1.0 O5P A:PTE701 2.0 20.2 1.0 O1P A:PTE701 2.0 20.7 1.0 O2G A:PTE701 2.1 19.7 1.0 O1G A:PTE701 2.1 20.4 1.0 O A:ALA196 2.4 18.9 1.0 O A:VAL94 2.5 19.3 1.0 P2 A:PTE701 3.2 21.1 1.0 O7P A:PTE701 3.3 22.8 1.0 P1 A:PTE701 3.3 21.9 1.0 C A:ALA196 3.6 22.3 1.0 C A:VAL94 3.7 22.1 1.0 O3P A:PTE701 3.7 21.1 1.0 C1 A:PTE701 3.9 21.2 1.0 O4P A:PTE701 3.9 20.8 1.0 O8P A:PTE701 4.1 21.1 1.0 C21 A:PTE701 4.1 19.7 1.0 N A:GLY198 4.1 18.9 1.0 CA A:LEU95 4.2 23.0 1.0 CA A:ALA197 4.3 17.5 1.0 N A:ALA197 4.4 19.4 1.0 O6P A:PTE701 4.4 20.6 1.0 O2 A:PTE701 4.4 22.0 1.0 CG2 A:VAL94 4.4 21.1 1.0 N A:LEU95 4.4 19.8 1.0 O2P A:PTE701 4.5 23.6 1.0 N A:ALA196 4.6 21.9 1.0 CA A:ALA196 4.6 20.5 1.0 CB A:LEU95 4.6 23.3 1.0 C2 A:PTE701 4.7 22.0 1.0 NZ A:LYS77 4.7 22.7 1.0 O22 A:PTE701 4.7 23.3 1.0 N A:VAL94 4.7 22.7 1.0 C A:ALA197 4.8 19.9 1.0 CA A:VAL94 4.8 21.5 1.0 N26 A:PTE701 4.9 22.2 1.0 OG A:SER93 5.0 18.2 0.7 C22 A:PTE701 5.0 21.6 1.0

Magnesium binding site 2 out of 6 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg703 b:24.1 occ:1.00 O8 A:PTE701 1.9 29.0 1.0 O A:HOH923 2.0 26.5 1.0 O A:MET194 2.1 20.3 1.0 OD2 A:ASP323 2.1 24.9 1.0 OD2 A:ASP326 2.2 22.9 1.0 O A:HOH879 2.2 23.2 1.0 C8 A:PTE701 3.1 24.9 1.0 CG A:ASP323 3.1 23.1 1.0 CG A:ASP326 3.2 23.1 1.0 C A:MET194 3.3 23.1 1.0 OD1 A:ASP323 3.5 22.4 1.0 OD1 A:ASP326 3.5 25.6 1.0 N9 A:PTE701 3.8 22.5 1.0 C7 A:PTE701 4.1 20.7 1.0 CA A:MET194 4.1 22.9 1.0 CB A:MET194 4.2 24.5 1.0 N A:HIS195 4.2 20.8 1.0 N6 A:PTE701 4.3 22.3 1.0 CA A:HIS195 4.4 23.6 1.0 CB A:ASP323 4.4 18.7 1.0 CB A:ASP326 4.5 19.8 1.0 O7P A:PTE701 4.7 22.8 1.0 CE A:MET307 4.7 26.2 1.0 OD1 A:ASP353 4.8 24.0 1.0 CD2 A:LEU329 4.8 25.9 1.0 OD2 A:ASP353 5.0 28.2 1.0

Magnesium binding site 3 out of 6 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg704 b:16.4 occ:1.00 O28 A:PTE701 2.0 21.3 1.0 O3P A:PTE701 2.1 21.1 1.0 OG1 A:THR470 2.2 22.7 1.0 O A:HOH867 2.2 19.0 1.0 O A:HOH860 2.3 26.6 1.0 O A:HOH870 2.3 21.8 1.0 C28 A:PTE701 3.1 20.9 1.0 CB A:THR470 3.3 22.0 1.0 P1 A:PTE701 3.4 21.9 1.0 N29 A:PTE701 3.7 24.9 1.0 O2P A:PTE701 3.8 23.6 1.0 CG2 A:THR470 4.0 20.4 1.0 OD2 A:ASP468 4.2 23.2 1.0 O4P A:PTE701 4.2 20.8 1.0 O A:GLY92 4.2 23.5 1.0 OD1 A:ASP468 4.2 20.3 1.0 C27 A:PTE701 4.3 23.0 1.0 O1G A:PTE701 4.3 20.4 1.0 O A:THR470 4.3 24.2 1.0 OD2 A:ASP490 4.4 25.7 1.0 OD1 A:ASP490 4.5 25.8 1.0 CA A:THR470 4.5 22.0 1.0 C1 A:PTE701 4.5 21.2 1.0 C A:THR470 4.6 25.0 1.0 N26 A:PTE701 4.6 22.2 1.0 O1P A:PTE701 4.6 20.7 1.0 CG A:ASP468 4.7 22.6 1.0 CA A:SER93 4.7 23.7 0.3 CG2 A:VAL94 4.8 21.1 1.0 CA A:SER93 4.8 23.7 0.7 CG A:ASP490 4.8 28.3 1.0 N A:VAL94 5.0 22.7 1.0 C30 A:PTE701 5.0 22.9 1.0

Magnesium binding site 4 out of 6 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg701 b:21.4 occ:1.00 MG1 C:PTE701 0.0 21.4 1.0 O5P C:PTE701 2.0 18.8 1.0 O1P C:PTE701 2.0 21.8 1.0 O2G C:PTE701 2.1 15.8 1.0 O1G C:PTE701 2.1 19.3 1.0 O C:ALA196 2.3 16.9 1.0 O C:VAL94 2.5 18.9 1.0 P2 C:PTE701 3.2 19.3 1.0 O7P C:PTE701 3.3 22.2 1.0 P1 C:PTE701 3.4 22.0 1.0 C C:ALA196 3.5 21.8 1.0 C C:VAL94 3.7 19.6 1.0 O3P C:PTE701 3.8 21.1 1.0 C1 C:PTE701 3.9 17.9 1.0 O4P C:PTE701 4.0 20.1 1.0 CA C:LEU95 4.1 19.2 1.0 O8P C:PTE701 4.1 20.5 1.0 N C:GLY198 4.1 18.0 1.0 C21 C:PTE701 4.2 19.2 1.0 CA C:ALA197 4.3 17.9 1.0 N C:ALA197 4.3 19.1 1.0 N C:LEU95 4.3 18.6 1.0 O6P C:PTE701 4.3 18.1 1.0 CB C:LEU95 4.4 20.0 1.0 O2 C:PTE701 4.4 20.9 1.0 N C:ALA196 4.5 20.7 1.0 CA C:ALA196 4.5 19.1 1.0 CG2 C:VAL94 4.5 18.9 1.0 O2P C:PTE701 4.6 21.4 1.0 N C:VAL94 4.7 21.2 1.0 C2 C:PTE701 4.8 19.6 1.0 C C:ALA197 4.8 20.3 1.0 CA C:VAL94 4.8 18.1 1.0 O22 C:PTE701 4.8 19.6 1.0 NZ C:LYS77 4.9 22.4 1.0

Magnesium binding site 5 out of 6 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg703 b:22.6 occ:1.00 O8 C:PTE701 1.8 25.9 1.0 OD2 C:ASP323 2.0 24.9 1.0 OD2 C:ASP326 2.1 21.6 1.0 O C:MET194 2.1 20.1 1.0 O C:HOH958 2.2 22.9 1.0 O C:HOH888 2.2 24.4 1.0 C8 C:PTE701 3.0 23.3 1.0 CG C:ASP323 3.1 22.7 1.0 CG C:ASP326 3.1 22.7 1.0 C C:MET194 3.3 23.6 1.0 OD1 C:ASP323 3.5 19.9 1.0 OD1 C:ASP326 3.6 24.0 1.0 N9 C:PTE701 3.8 21.6 1.0 CB C:MET194 4.0 21.7 1.0 C7 C:PTE701 4.1 21.0 1.0 CA C:MET194 4.1 21.5 1.0 N6 C:PTE701 4.2 20.9 1.0 N C:HIS195 4.3 20.5 1.0 CB C:ASP326 4.4 18.7 1.0 CB C:ASP323 4.4 16.5 1.0 CA C:HIS195 4.5 22.6 1.0 CE C:MET307 4.8 28.9 1.0 O7P C:PTE701 4.8 22.2 1.0 OD1 C:ASP353 4.8 23.1 1.0 CD2 C:LEU329 4.8 25.7 1.0 CG C:MET194 4.8 21.0 1.0 OD2 C:ASP353 4.8 25.2 1.0 N C:ASP326 5.0 18.4 1.0

Magnesium binding site 6 out of 6 in the WOR5 From Pyrococcus Furiosus, Taurine-Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of WOR5 From Pyrococcus Furiosus, Taurine-Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg704 b:13.2 occ:1.00 O28 C:PTE701 2.1 19.4 1.0 O3P C:PTE701 2.1 21.1 1.0 O C:HOH859 2.1 18.4 1.0 O C:HOH834 2.2 18.2 1.0 OG1 C:THR470 2.3 20.3 1.0 O C:HOH855 2.3 23.8 1.0 C28 C:PTE701 3.1 19.4 1.0 CB C:THR470 3.3 20.6 1.0 P1 C:PTE701 3.4 22.0 1.0 N29 C:PTE701 3.7 20.4 1.0 O2P C:PTE701 3.8 21.4 1.0 CG2 C:THR470 4.0 17.0 1.0 OD2 C:ASP468 4.1 19.6 1.0 O C:GLY92 4.2 23.9 1.0 O4P C:PTE701 4.2 20.1 1.0 OD1 C:ASP468 4.3 17.5 1.0 C27 C:PTE701 4.3 20.9 1.0 O C:THR470 4.4 22.0 1.0 OD1 C:ASP490 4.4 21.7 1.0 O1G C:PTE701 4.4 19.3 1.0 OD2 C:ASP490 4.5 22.1 1.0 CA C:THR470 4.5 17.0 1.0 O1P C:PTE701 4.6 21.8 1.0 C1 C:PTE701 4.6 17.9 1.0 C C:THR470 4.6 24.4 1.0 CG C:ASP468 4.6 21.1 1.0 N26 C:PTE701 4.7 20.1 1.0 CG2 C:VAL94 4.8 18.9 1.0 CG C:ASP490 4.8 23.8 1.0 CA C:SER93 4.9 21.7 1.0 N C:VAL94 5.0 21.2 1.0 C30 C:PTE701 5.0 18.8 1.0

W.N.Lanzilotta, L.G.Mathew. A Novel Function For WOR5 Revealed Through in Situ Crystallography and Biochemical Analysis To Be Published.