Sodium in PDB 3hb7: The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A

The structure of The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A, PDB code: 3hb7 was solved by A.J.Stein, X.Xu, H.Cui, J.Ng, A.Edwards, A.Savchenko, A.Joachimiak, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.32 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	85.651, 105.425, 106.267, 90.00, 103.90, 90.00
R / Rfree (%)	19.6 / 23.8

The binding sites of Sodium atom in the The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A (pdb code 3hb7). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 5 binding sites of Sodium where determined in the The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A, PDB code: 3hb7:
Jump to Sodium binding site number: 1; 2; 3; 4; 5;

Sodium binding site 1 out of 5 in the The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:27.3 occ:1.00 O A:HOH268 2.9 29.4 1.0 OG1 A:THR135 3.1 20.3 0.5 OG1 C:THR135 3.4 17.9 1.0 OG A:SER132 3.6 22.8 1.0 CB C:THR135 3.8 17.1 1.0 OG1 A:THR135 3.8 19.6 0.5 CA C:SER132 3.8 18.3 1.0 CA A:SER132 3.8 19.5 1.0 NE A:ARG131 3.8 24.7 1.0 CG2 A:THR135 3.8 20.2 0.5 CB A:THR135 3.9 19.1 0.5 CB A:THR135 3.9 19.7 0.5 CG C:ARG131 4.0 17.7 1.0 CG2 C:THR135 4.0 16.3 1.0 CG2 A:THR135 4.1 16.4 0.5 CB A:SER132 4.2 19.4 1.0 OG C:SER132 4.3 22.3 1.0 N C:SER132 4.3 17.7 1.0 O C:ARG131 4.3 17.2 1.0 CD C:ARG131 4.3 19.1 1.0 CG A:ARG131 4.3 22.6 1.0 CB C:SER132 4.4 18.6 1.0 NH1 C:ARG131 4.4 21.8 1.0 N A:SER132 4.4 18.8 1.0 CD A:ARG131 4.5 25.2 1.0 NH2 A:ARG131 4.5 21.8 1.0 CZ A:ARG131 4.5 21.2 1.0 C C:ARG131 4.5 17.0 1.0 O A:ARG131 4.5 20.1 1.0 O C:SER132 4.7 17.5 1.0 C A:ARG131 4.7 19.3 1.0 O A:SER132 4.7 17.7 1.0 C C:SER132 4.8 17.8 1.0 C A:SER132 4.8 18.6 1.0

Sodium binding site 2 out of 5 in the The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na202 b:31.3 occ:1.00 OG B:SER132 3.2 22.8 1.0 OG1 D:THR135 3.5 18.3 1.0 OG1 B:THR135 3.6 22.9 1.0 CA B:SER132 3.7 20.3 1.0 CB D:THR135 3.8 18.7 1.0 CA D:SER132 3.8 20.0 1.0 CB B:THR135 3.9 20.6 1.0 CG2 D:THR135 3.9 18.9 1.0 CB B:SER132 4.0 20.4 1.0 CG2 B:THR135 4.0 18.6 1.0 OG D:SER132 4.1 22.0 1.0 O D:ARG131 4.2 19.4 1.0 NE D:ARG131 4.2 19.3 1.0 CG D:ARG131 4.3 18.8 1.0 N B:SER132 4.3 20.4 1.0 CG B:ARG131 4.3 23.1 1.0 N D:SER132 4.3 19.7 1.0 CB D:SER132 4.3 19.6 1.0 CD B:ARG131 4.4 25.8 1.0 C D:ARG131 4.5 19.1 1.0 O B:ARG131 4.5 20.2 1.0 NH1 B:ARG131 4.6 35.8 1.0 C B:ARG131 4.6 20.9 1.0 CZ D:ARG131 4.7 15.6 1.0 NE B:ARG131 4.7 29.8 1.0 CD D:ARG131 4.7 19.2 1.0 NH2 D:ARG131 4.8 14.3 1.0 O B:SER132 4.8 18.9 1.0 C B:SER132 4.8 19.6 1.0 O D:SER132 4.8 20.8 1.0 C D:SER132 4.8 20.1 1.0 CZ B:ARG131 4.8 30.8 1.0

Sodium binding site 3 out of 5 in the The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A within 5.0Å range: probe atom residue distance (Å) B Occ E:Na202 b:41.6 occ:1.00 OG1 F:THR135 3.6 22.4 1.0 OG1 E:THR135 3.6 23.9 1.0 OG F:SER132 3.6 23.6 1.0 CA F:SER132 3.8 20.8 1.0 CB F:THR135 3.8 20.1 1.0 OG E:SER132 3.9 25.7 1.0 NE F:ARG131 3.9 24.7 1.0 CA E:SER132 4.0 24.2 1.0 CB E:THR135 4.0 22.9 1.0 CD E:ARG131 4.0 26.2 1.0 CG F:ARG131 4.2 20.8 1.0 O F:ARG131 4.2 20.6 1.0 CG2 F:THR135 4.2 20.6 1.0 CB F:SER132 4.2 21.0 1.0 CG E:ARG131 4.2 25.0 1.0 N F:SER132 4.2 20.9 1.0 CG2 E:THR135 4.3 23.1 1.0 NH1 E:ARG131 4.4 27.7 1.0 C F:ARG131 4.5 20.7 1.0 CB E:SER132 4.5 24.0 1.0 N E:SER132 4.5 23.9 1.0 O E:ARG131 4.5 25.1 1.0 CZ F:ARG131 4.5 22.3 1.0 NH2 F:ARG131 4.5 23.2 1.0 CD F:ARG131 4.6 22.3 1.0 O F:SER132 4.7 19.6 1.0 C E:ARG131 4.7 24.6 1.0 C F:SER132 4.8 20.4 1.0 O E:HOH233 4.8 19.5 1.0 NE E:ARG131 4.8 28.8 1.0 O E:SER132 4.9 23.2 1.0 C E:SER132 4.9 23.6 1.0 CZ E:ARG131 5.0 28.5 1.0

Sodium binding site 4 out of 5 in the The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A within 5.0Å range: probe atom residue distance (Å) B Occ F:Na201 b:29.7 occ:1.00 O F:HOH207 2.6 24.2 1.0 OG F:SER148 3.1 16.6 1.0 N B:TRP77 3.3 23.4 1.0 O B:HOH287 3.3 34.6 1.0 CB F:SER148 3.4 16.9 1.0 CA B:THR76 3.7 23.3 1.0 CB B:THR76 3.7 23.5 1.0 C F:SER148 3.9 18.1 1.0 N F:ASP149 3.9 18.1 1.0 C B:THR76 4.0 23.3 1.0 CB F:ASP149 4.0 18.5 1.0 O B:HOH210 4.0 16.9 1.0 O F:SER148 4.0 18.7 1.0 CB B:TRP77 4.1 23.1 1.0 CG2 B:THR76 4.2 22.4 1.0 CA F:ASP149 4.3 18.6 1.0 CA B:TRP77 4.3 23.3 1.0 CA F:SER148 4.3 17.2 1.0 CG F:ASP149 4.5 19.7 1.0 CG2 F:THR174 4.6 17.4 1.0 O B:GLY75 4.8 24.8 1.0 N B:THR76 4.9 23.7 1.0 OD1 F:ASP149 4.9 22.0 1.0 OG1 B:THR76 4.9 24.4 1.0

Sodium binding site 5 out of 5 in the The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A within 5.0Å range: probe atom residue distance (Å) B Occ G:Na201 b:49.1 occ:1.00 OG1 G:THR135 3.2 21.3 1.0 OG H:SER132 3.5 23.9 1.0 CB G:THR135 3.7 20.1 1.0 CA H:SER132 3.7 22.4 1.0 CG2 G:THR135 3.9 20.4 1.0 OG1 H:THR135 3.9 23.9 1.0 CA G:SER132 3.9 22.4 1.0 NE G:ARG131 3.9 27.8 1.0 CB H:THR135 4.0 23.1 1.0 NE H:ARG131 4.0 25.4 1.0 CB H:SER132 4.0 22.1 1.0 CG G:ARG131 4.1 23.3 1.0 CG2 H:THR135 4.2 23.1 1.0 OG G:SER132 4.2 24.9 1.0 CG H:ARG131 4.2 23.4 1.0 N H:SER132 4.3 21.8 1.0 CB G:SER132 4.3 22.6 1.0 CD G:ARG131 4.4 26.1 1.0 O G:ARG131 4.5 22.9 1.0 N G:SER132 4.5 22.3 1.0 O H:ARG131 4.6 21.9 1.0 O H:SER132 4.6 22.3 1.0 CD H:ARG131 4.6 25.3 1.0 C H:SER132 4.7 22.2 1.0 CZ H:ARG131 4.7 25.6 1.0 CZ G:ARG131 4.7 26.8 1.0 NH2 H:ARG131 4.7 25.5 1.0 C G:ARG131 4.7 22.8 1.0 C H:ARG131 4.7 21.8 1.0 O G:SER132 4.8 21.1 1.0 NH2 G:ARG131 4.9 25.8 1.0 C G:SER132 4.9 21.4 1.0

A.J.Stein, X.Xu, H.Cui, J.Ng, A.Edwards, A.Savchenko, A.Joachimiak. The Crystal Structure of An Isochorismatase-Like Hydrolase From Alkaliphilus Metalliredigens to 2.3A To Be Published.