Sodium in PDB 6we5: Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx

All present enzymatic activity of Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx:
3.6.1.1;

The structure of Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx, PDB code: 6we5 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.99 / 2.25
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	77.160, 121.190, 124.500, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22.8

The binding sites of Sodium atom in the Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx (pdb code 6we5). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx, PDB code: 6we5:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:66.6 occ:1.00 OD2 A:ASP97 2.3 65.2 1.0 OD1 A:ASP130 2.3 65.8 1.0 O A:HOH407 2.3 73.5 1.0 O A:HOH418 2.4 78.8 1.0 OD2 A:ASP92 2.4 88.7 1.0 CG A:ASP97 3.1 56.6 1.0 O A:HOH404 3.2 42.8 1.0 OD1 A:ASP97 3.3 60.1 1.0 CG A:ASP130 3.5 69.8 1.0 CG A:ASP92 3.6 80.1 1.0 NZ A:LYS132 3.7 64.4 1.0 OD1 A:ASP92 4.1 78.5 1.0 OD2 A:ASP130 4.1 67.3 1.0 OD2 A:ASP94 4.5 80.9 1.0 CB A:ASP97 4.5 57.1 1.0 CB A:ASP94 4.6 67.3 1.0 CB A:ASP130 4.6 70.1 1.0 O A:PRO95 4.6 58.3 1.0 CA A:ASP130 4.6 70.8 1.0 OH A:TYR64 4.7 65.8 1.0 CB A:ASP92 4.7 76.7 1.0 O A:ASP131 5.0 58.0 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx within 5.0Å range: probe atom residue distance (Å) B Occ B:Na301 b:77.2 occ:1.00 O B:HOH416 2.3 58.4 1.0 O B:HOH405 2.4 56.8 1.0 OD2 B:ASP97 2.4 63.6 1.0 OD2 B:ASP92 2.5 82.8 1.0 OD1 B:ASP130 2.6 85.2 1.0 CG B:ASP97 3.1 52.0 1.0 OD1 B:ASP97 3.3 55.9 1.0 CG B:ASP92 3.4 85.2 1.0 OD1 B:ASP92 3.7 88.2 1.0 CG B:ASP130 3.8 81.7 1.0 O B:PRO95 3.9 58.5 1.0 O B:HOH425 4.0 48.7 1.0 CB B:ASP97 4.3 51.2 1.0 SG B:CYS72 4.3 67.5 0.6 CA B:ASP130 4.3 69.5 1.0 N B:ASP97 4.4 51.0 1.0 NZ B:LYS132 4.5 67.4 1.0 O B:ASP131 4.5 68.5 1.0 CB B:ASP130 4.7 70.5 1.0 CB B:ASP94 4.7 67.2 1.0 OD2 B:ASP130 4.7 84.2 1.0 O B:ALA129 4.7 75.9 1.0 C B:ASP130 4.7 64.8 1.0 CB B:ASP92 4.8 80.9 1.0 CA B:ASP97 5.0 46.8 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx within 5.0Å range: probe atom residue distance (Å) B Occ C:Na301 b:64.8 occ:1.00 OD1 C:ASP130 2.3 75.2 1.0 OD2 C:ASP97 2.4 61.2 1.0 O C:HOH401 2.5 66.7 1.0 OD2 C:ASP92 2.5 76.9 1.0 O C:HOH404 2.7 57.1 1.0 CG C:ASP97 3.0 50.2 1.0 OD1 C:ASP97 3.1 51.3 1.0 CG C:ASP130 3.5 74.7 1.0 CG C:ASP92 3.6 74.6 1.0 NZ C:LYS132 4.0 58.7 1.0 OD1 C:ASP92 4.1 77.3 1.0 OD2 C:ASP130 4.2 76.1 1.0 O C:PRO95 4.3 65.2 1.0 CB C:ASP97 4.4 39.5 1.0 O C:HOH402 4.5 55.0 1.0 CA C:ASP130 4.5 52.4 1.0 CB C:ASP130 4.6 60.4 1.0 CB C:ASP94 4.7 58.1 1.0 O C:ASP131 4.8 56.2 1.0 N C:ASP97 4.8 42.3 1.0 CB C:ASP92 4.8 66.7 1.0 OD2 C:ASP94 4.9 78.8 1.0 C C:ASP130 4.9 49.5 1.0 OH C:TYR64 5.0 62.7 1.0

T.E.Edwards, J.Abendroth, P.S.Horanyi, D.D.Lorimer, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Crystal Structure of An Inorganic Pyrophosphatase From Chlamydia Trachomatis D/Uw-3/Cx To Be Published.