Sodium in PDB 5z72: Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens

The structure of Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens, PDB code: 5z72 was solved by J.Chen, L.Wang, F.Shang, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.963, 90.898, 105.531, 90.00, 106.18, 90.00
R / Rfree (%)	18.5 / 25.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Sodium atom in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens (pdb code 5z72). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 12 binding sites of Sodium where determined in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens, PDB code: 5z72:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Sodium binding site 1 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


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 Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:55.5 occ:1.00 H A:SER130 1.9 48.1 1.0 HG A:SER130 2.3 63.6 1.0 OB2 A:FLC303 2.7 42.0 1.0 N A:SER130 2.7 40.1 1.0 O A:HOH469 2.7 47.4 1.0 HB3 A:SER130 2.8 53.4 1.0 OD1 A:ASP190 2.8 48.5 1.0 HB3 A:SER191 2.8 56.9 1.0 HB3 A:TRP128 2.8 56.9 1.0 H A:SER129 3.0 48.5 1.0 OG A:SER130 3.0 53.0 1.0 HB2 A:SER129 3.1 50.4 1.0 CB A:SER130 3.2 44.5 1.0 N A:SER129 3.3 40.4 1.0 H A:SER191 3.4 61.7 1.0 CA A:SER130 3.5 39.0 1.0 N A:SER191 3.6 51.4 1.0 CB A:SER191 3.6 47.4 1.0 C A:SER129 3.6 37.6 1.0 CA A:SER129 3.8 43.4 1.0 HA A:SER191 3.8 58.1 1.0 CBC A:FLC303 3.8 48.2 1.0 CB A:TRP128 3.8 47.4 1.0 CB A:SER129 3.8 42.0 1.0 CG A:ASP190 3.9 51.6 1.0 CA A:SER191 3.9 48.4 1.0 HB2 A:SER191 4.0 56.9 1.0 HA A:SER130 4.0 46.8 1.0 C A:TRP128 4.0 41.9 1.0 OB1 A:FLC303 4.1 46.3 1.0 HB2 A:SER130 4.1 53.4 1.0 HG A:SER189 4.2 61.0 1.0 C A:ASP190 4.2 49.5 1.0 HB3 A:SER129 4.2 50.4 1.0 HB2 A:TRP128 4.3 56.9 1.0 H A:ASP190 4.3 58.0 1.0 HE3 A:TRP128 4.4 51.3 1.0 H A:GLU131 4.4 44.8 1.0 HB2 A:SER189 4.4 57.6 1.0 CA A:TRP128 4.4 45.0 1.0 OD2 A:ASP190 4.4 51.7 1.0 HA A:TRP128 4.5 54.0 1.0 O A:HOH461 4.5 46.9 1.0 CG A:TRP128 4.5 45.6 1.0 OG A:SER189 4.6 50.9 1.0 OG A:SER191 4.7 40.8 1.0 HA A:SER129 4.7 52.1 1.0 O A:ASP190 4.7 50.3 1.0 HOB A:FLC303 4.7 51.3 1.0 N A:ASP190 4.8 48.3 1.0 C A:SER130 4.8 47.5 1.0 O A:SER129 4.8 38.5 1.0 CE3 A:TRP128 4.8 42.7 1.0 O A:TRP128 4.8 41.8 1.0 CA A:ASP190 4.9 49.4 1.0 CD2 A:TRP128 4.9 41.4 1.0 HG A:SER191 4.9 49.0 1.0 N A:GLU131 4.9 37.3 1.0 CB A:ASP190 4.9 49.0 1.0 OG A:SER129 5.0 41.1 1.0

Sodium binding site 2 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


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 Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ A:Na302 b:66.6 occ:1.00 H A:PHE187 2.1 61.0 1.0 O A:HOH406 2.3 50.4 1.0 HE2 A:TYR193 2.4 50.6 1.0 HB3 A:PHE187 2.5 57.5 1.0 O A:HOH415 2.7 60.9 1.0 N A:PHE187 2.9 50.9 1.0 CE2 A:TYR193 3.2 42.2 1.0 CB A:PHE187 3.4 47.9 1.0 HA A:GLN186 3.4 57.8 1.0 HD13 A:ILE197 3.4 64.6 1.0 O A:ILE233 3.4 45.8 1.0 HD2 A:TYR193 3.4 54.5 1.0 HB A:ILE233 3.5 58.1 1.0 HD12 A:ILE197 3.6 64.6 1.0 CA A:PHE187 3.6 51.4 1.0 O A:PHE187 3.7 55.7 1.0 HB2 A:PHE187 3.7 57.5 1.0 CD2 A:TYR193 3.8 45.4 1.0 CD1 A:ILE197 3.8 53.8 1.0 HG A:CYS221 3.9 76.1 1.0 H A:ILE233 3.9 61.0 1.0 HG3 A:GLN186 3.9 72.7 1.0 C A:GLN186 3.9 56.4 1.0 HH A:TYR193 4.0 62.9 1.0 HD2 A:PHE187 4.0 64.6 1.0 HD11 A:ILE197 4.0 64.6 1.0 CA A:GLN186 4.1 48.2 1.0 C A:PHE187 4.1 47.0 1.0 CZ A:TYR193 4.4 49.2 1.0 CB A:ILE233 4.4 48.4 1.0 C A:ILE233 4.4 46.5 1.0 HE1 A:PHE184 4.4 80.7 1.0 HA A:PHE187 4.5 61.6 1.0 CG A:PHE187 4.5 54.6 1.0 HZ A:PHE184 4.5 88.0 1.0 OH A:TYR193 4.6 52.4 1.0 N A:ILE233 4.6 50.8 1.0 CD2 A:PHE187 4.6 53.9 1.0 HG21 A:ILE197 4.7 52.2 1.0 O A:ILE185 4.7 49.9 1.0 CA A:ILE233 4.7 46.7 1.0 CG A:GLN186 4.8 60.6 1.0 HE21 A:GLN186 4.8 82.6 1.0 HD12 A:ILE233 4.9 60.2 1.0 HG22 A:ILE233 4.9 61.7 1.0 CB A:GLN186 4.9 53.5 1.0 HG12 A:ILE218 5.0 65.2 1.0

Sodium binding site 3 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


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 Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Na301 b:55.9 occ:1.00 O B:GLY230 2.4 54.1 1.0 H B:THR169 2.4 64.5 1.0 O B:ALA225 2.5 39.3 1.0 HG23 B:THR169 2.7 62.5 1.0 HA B:ALA225 2.8 55.7 1.0 HH21 B:ARG182 2.9 58.4 1.0 HA2 B:GLY228 2.9 50.0 1.0 HA B:ASP168 2.9 63.7 1.0 OD1 B:ASP168 3.0 51.1 1.0 HH22 B:ARG182 3.0 58.4 1.0 H B:GLY230 3.1 60.7 1.0 N B:THR169 3.2 53.7 1.0 HB1 B:ALA225 3.2 58.0 1.0 C B:ALA225 3.3 39.2 1.0 NH2 B:ARG182 3.3 48.7 1.0 CA B:ALA225 3.4 46.5 1.0 H B:GLY228 3.4 56.0 1.0 C B:GLY230 3.5 45.0 1.0 CA B:GLY228 3.6 41.7 1.0 CG2 B:THR169 3.6 52.1 1.0 OG1 B:THR169 3.6 51.8 1.0 CA B:ASP168 3.7 53.0 1.0 HA B:TYR231 3.8 64.5 1.0 C B:GLY228 3.8 42.5 1.0 CB B:ALA225 3.8 48.3 1.0 CG B:ASP168 3.8 58.4 1.0 N B:GLY230 3.8 50.6 1.0 HG1 B:THR169 3.9 62.1 1.0 HG21 B:THR169 3.9 62.5 1.0 N B:GLY228 3.9 46.7 1.0 C B:ASP168 3.9 58.0 1.0 CB B:THR169 4.0 50.8 1.0 CA B:THR169 4.1 58.6 1.0 N B:ILE229 4.2 46.1 1.0 CA B:GLY230 4.2 45.7 1.0 O B:GLY228 4.2 43.7 1.0 H B:ILE229 4.2 55.4 1.0 HB2 B:ALA225 4.2 58.0 1.0 HG22 B:THR169 4.3 62.5 1.0 CB B:ASP168 4.4 56.8 1.0 HA3 B:GLY228 4.4 50.0 1.0 N B:TYR231 4.4 39.7 1.0 HA2 B:GLY230 4.5 54.8 1.0 N B:LEU226 4.5 41.0 1.0 CA B:TYR231 4.6 53.8 1.0 CZ B:ARG182 4.6 54.7 1.0 HB3 B:ALA225 4.6 58.0 1.0 OD2 B:ASP168 4.6 58.0 1.0 HA B:THR169 4.7 70.4 1.0 O B:MET224 4.7 55.1 1.0 H B:GLU170 4.7 60.8 1.0 N B:ALA225 4.7 49.8 1.0 N B:ASP168 4.8 49.8 1.0 O B:VAL167 4.8 47.5 1.0 C B:ILE229 4.9 43.2 1.0 HA B:LEU226 4.9 54.1 1.0 HB2 B:ASP168 4.9 68.2 1.0 HB B:THR169 4.9 60.9 1.0 HE B:ARG182 5.0 61.9 1.0

Sodium binding site 4 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Na302 b:55.0 occ:1.00 H B:ASP162 2.6 56.6 1.0 O B:ARG260 2.7 55.2 1.0 OG1 B:THR262 2.8 43.7 1.0 OD2 B:ASP162 2.8 54.0 1.0 HG1 B:THR262 2.9 52.4 1.0 HG3 B:MET160 2.9 59.3 1.0 HA B:THR161 3.0 61.6 1.0 N B:ASP162 3.1 47.1 1.0 HH21 B:ARG147 3.2 74.1 1.0 CG B:ASP162 3.2 59.4 1.0 H B:THR262 3.4 49.3 1.0 NH2 B:ARG147 3.4 61.8 1.0 HA B:ASP261 3.4 50.5 1.0 HH22 B:ARG147 3.5 74.1 1.0 O B:MET160 3.5 37.2 1.0 N B:THR262 3.5 41.1 1.0 C B:THR161 3.5 56.8 1.0 CA B:THR161 3.6 51.3 1.0 OD1 B:ASP162 3.6 63.7 1.0 HB B:THR262 3.7 47.6 1.0 CB B:THR262 3.7 39.7 1.0 C B:ARG260 3.7 52.6 1.0 C B:ASP261 3.7 45.2 1.0 C B:MET160 3.8 39.9 1.0 CG B:MET160 3.8 49.4 1.0 N B:THR161 3.9 41.6 1.0 CA B:ASP261 3.9 42.1 1.0 HB3 B:ASP162 4.0 75.9 1.0 CB B:ASP162 4.0 63.3 1.0 HG2 B:MET160 4.0 59.3 1.0 CA B:ASP162 4.1 47.1 1.0 CZ B:ARG147 4.2 54.8 1.0 N B:ASP261 4.2 45.5 1.0 CA B:THR262 4.2 38.6 1.0 HE3 B:MET160 4.2 62.5 1.0 HE B:ARG147 4.4 55.9 1.0 O B:THR161 4.4 52.9 1.0 O B:ASP261 4.5 41.5 1.0 H B:THR161 4.5 49.9 1.0 HB3 B:ARG260 4.5 70.6 1.0 HD11 B:ILE101 4.6 63.6 1.0 NE B:ARG147 4.6 46.6 1.0 HB2 B:MET160 4.6 47.7 1.0 CB B:MET160 4.7 39.8 1.0 HA B:THR262 4.7 46.3 1.0 CA B:MET160 4.8 40.0 1.0 HA B:ASP162 4.8 56.5 1.0 SD B:MET160 4.9 42.0 1.0 O B:ASP162 4.9 49.2 1.0 HB2 B:ASP162 4.9 75.9 1.0 NH1 B:ARG147 4.9 55.9 1.0 CE B:MET160 5.0 52.1 1.0 CB B:THR161 5.0 48.7 1.0 HH12 B:ARG147 5.0 67.1 1.0 H B:ASP261 5.0 54.7 1.0

Sodium binding site 5 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ B:Na303 b:58.1 occ:1.00 H B:SER130 2.0 51.3 1.0 OA2 B:FLC304 2.4 54.7 1.0 OD1 B:ASP190 2.5 49.6 1.0 HB3 B:SER191 2.7 53.6 1.0 HB3 B:TRP128 2.7 58.6 1.0 HB3 B:SER130 2.7 54.9 1.0 N B:SER130 2.8 42.7 1.0 O B:HOH464 2.9 46.1 1.0 HB2 B:SER129 3.0 53.4 1.0 OG B:SER130 3.2 52.8 1.0 CB B:SER130 3.3 45.8 1.0 H B:SER191 3.4 60.2 1.0 HG B:SER130 3.5 63.3 1.0 H B:SER129 3.5 55.0 1.0 CB B:SER191 3.6 44.6 1.0 CA B:SER130 3.6 45.4 1.0 CAC B:FLC304 3.6 52.7 1.0 N B:SER191 3.6 50.2 1.0 N B:SER129 3.6 45.8 1.0 CB B:TRP128 3.7 48.8 1.0 CG B:ASP190 3.7 53.0 1.0 HG B:SER189 3.8 55.0 1.0 C B:SER129 3.8 44.9 1.0 HA B:SER191 3.8 61.4 1.0 CB B:SER129 3.9 44.5 1.0 HB2 B:SER191 3.9 53.6 1.0 CA B:SER191 3.9 51.2 1.0 CA B:SER129 4.0 47.0 1.0 HA1 B:FLC304 4.0 54.2 1.0 HA B:SER130 4.1 54.5 1.0 C B:TRP128 4.1 46.8 1.0 HE3 B:TRP128 4.1 58.0 1.0 HB2 B:TRP128 4.1 58.6 1.0 H B:ASP190 4.1 54.9 1.0 HB2 B:SER130 4.2 54.9 1.0 C B:ASP190 4.2 52.7 1.0 OG B:SER189 4.2 45.9 1.0 OD2 B:ASP190 4.3 65.1 1.0 HB2 B:SER189 4.3 60.7 1.0 HB3 B:SER129 4.3 53.4 1.0 CA B:FLC304 4.3 45.2 1.0 O B:HOH458 4.3 47.9 1.0 CA B:TRP128 4.4 47.2 1.0 HA B:TRP128 4.4 56.7 1.0 CG B:TRP128 4.4 51.8 1.0 H B:GLU131 4.4 51.7 1.0 OA1 B:FLC304 4.5 50.1 1.0 CE3 B:TRP128 4.6 48.3 1.0 OG B:SER191 4.6 43.7 1.0 HA2 B:FLC304 4.6 54.2 1.0 N B:ASP190 4.6 45.7 1.0 O B:ASP190 4.7 60.3 1.0 CD2 B:TRP128 4.7 49.7 1.0 HG B:SER191 4.7 52.4 1.0 O B:TRP128 4.8 41.1 1.0 CA B:ASP190 4.8 47.5 1.0 CB B:SER189 4.8 50.5 1.0 C B:SER130 4.8 42.0 1.0 CB B:ASP190 4.9 49.3 1.0 OG B:SER129 4.9 37.3 1.0 HA B:SER129 4.9 56.4 1.0 N B:GLU131 5.0 43.1 1.0 O B:SER129 5.0 40.4 1.0

Sodium binding site 6 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ C:Na301 b:53.7 occ:1.00 H C:SER130 2.1 49.0 1.0 OD1 C:ASP190 2.5 52.7 1.0 HB3 C:SER191 2.6 63.4 1.0 OB2 C:FLC303 2.7 47.8 1.0 HB3 C:SER130 2.7 57.5 1.0 HB3 C:TRP128 2.7 58.5 1.0 N C:SER130 3.0 40.8 1.0 O C:HOH454 3.1 43.3 1.0 HB2 C:SER129 3.2 58.9 1.0 OG C:SER130 3.2 59.6 1.0 CB C:SER130 3.3 47.9 1.0 H C:SER129 3.3 56.6 1.0 HG C:SER130 3.4 71.5 1.0 H C:SER191 3.4 64.4 1.0 N C:SER129 3.5 47.2 1.0 CB C:SER191 3.5 52.9 1.0 CB C:TRP128 3.6 48.8 1.0 CG C:ASP190 3.6 53.7 1.0 CBC C:FLC303 3.6 53.1 1.0 N C:SER191 3.7 53.7 1.0 CA C:SER130 3.7 49.4 1.0 HG C:SER189 3.8 64.9 1.0 OB1 C:FLC303 3.8 49.7 1.0 C C:SER129 4.0 45.3 1.0 HA C:SER191 4.0 64.7 1.0 CA C:SER191 4.0 53.9 1.0 CB C:SER129 4.0 49.1 1.0 HB2 C:SER191 4.0 63.4 1.0 C C:TRP128 4.0 52.0 1.0 CA C:SER129 4.0 44.5 1.0 O C:HOH431 4.0 54.5 1.0 OD2 C:ASP190 4.1 58.2 1.0 HA C:TRP128 4.1 60.2 1.0 HB2 C:SER130 4.1 57.5 1.0 HB2 C:TRP128 4.2 58.5 1.0 H C:ASP190 4.2 66.3 1.0 CA C:TRP128 4.2 50.2 1.0 HA C:SER130 4.2 59.2 1.0 OG C:SER189 4.3 54.1 1.0 CG C:TRP128 4.3 49.2 1.0 C C:ASP190 4.3 51.9 1.0 HE3 C:TRP128 4.4 63.8 1.0 HB2 C:SER189 4.4 56.2 1.0 OG C:SER191 4.4 53.4 1.0 H C:GLU131 4.5 57.5 1.0 HG C:SER191 4.5 64.0 1.0 HB3 C:SER129 4.6 58.9 1.0 N C:ASP190 4.7 55.2 1.0 CD2 C:TRP128 4.7 53.0 1.0 HG C:SER129 4.8 64.4 1.0 CE3 C:TRP128 4.8 53.2 1.0 O C:TRP128 4.8 45.0 1.0 CB C:ASP190 4.8 48.0 1.0 CA C:ASP190 4.9 52.5 1.0 CB C:SER189 4.9 46.8 1.0 OG C:SER129 4.9 53.7 1.0 O C:ASP190 4.9 51.6 1.0 C C:SER130 5.0 55.9 1.0 HA C:SER129 5.0 53.4 1.0 CB C:FLC303 5.0 58.5 1.0

Sodium binding site 7 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ C:Na302 b:78.3 occ:1.00 HH21 C:ARG182 2.3 75.0 1.0 HH22 C:ARG182 2.5 75.0 1.0 O C:GLY230 2.5 56.0 1.0 O C:ALA225 2.6 43.6 1.0 H C:THR169 2.7 70.3 1.0 NH2 C:ARG182 2.7 62.5 1.0 HA2 C:GLY228 2.7 51.9 1.0 HA C:ASP168 2.9 68.2 1.0 OD1 C:ASP168 3.1 57.5 1.0 H C:GLY230 3.1 68.8 1.0 HA C:ALA225 3.2 63.2 1.0 C C:GLY230 3.4 56.3 1.0 N C:THR169 3.4 58.6 1.0 CA C:GLY228 3.5 43.3 1.0 OG1 C:THR169 3.5 56.5 1.0 H C:GLY228 3.5 58.4 1.0 C C:ALA225 3.6 47.9 1.0 HG23 C:THR169 3.6 62.6 1.0 C C:GLY228 3.6 50.0 1.0 CG C:ASP168 3.7 57.5 1.0 N C:GLY230 3.7 57.3 1.0 HB1 C:ALA225 3.7 61.1 1.0 HG1 C:THR169 3.8 67.8 1.0 CA C:ALA225 3.8 52.6 1.0 CA C:ASP168 3.8 56.8 1.0 HA C:TYR231 3.9 62.0 1.0 N C:GLY228 3.9 48.7 1.0 CZ C:ARG182 4.0 67.0 1.0 CA C:GLY230 4.0 59.3 1.0 N C:ILE229 4.0 49.8 1.0 O C:GLY228 4.1 59.6 1.0 H C:ILE229 4.1 59.8 1.0 C C:ASP168 4.1 62.5 1.0 HA2 C:GLY230 4.1 71.2 1.0 HA3 C:GLY228 4.3 51.9 1.0 CB C:ALA225 4.3 50.9 1.0 CB C:THR169 4.3 54.5 1.0 CB C:ASP168 4.3 59.2 1.0 CG2 C:THR169 4.3 52.2 1.0 OD2 C:ASP168 4.3 64.0 1.0 N C:TYR231 4.3 56.2 1.0 HE C:ARG182 4.4 90.3 1.0 CA C:THR169 4.4 58.0 1.0 CA C:TYR231 4.6 51.7 1.0 HG21 C:THR169 4.6 62.6 1.0 C C:ILE229 4.6 59.8 1.0 H C:GLU170 4.7 74.0 1.0 HH12 C:ARG182 4.7 78.4 1.0 HB2 C:ALA225 4.7 61.1 1.0 NE C:ARG182 4.7 75.3 1.0 HB2 C:ASP168 4.7 71.1 1.0 O C:MET224 4.8 56.6 1.0 NH1 C:ARG182 4.8 65.3 1.0 N C:LEU226 4.8 49.4 1.0 HA3 C:GLY230 4.9 71.2 1.0 O C:VAL167 4.9 56.4 1.0 N C:ASP168 4.9 60.5 1.0 CA C:ILE229 4.9 46.2 1.0

Sodium binding site 8 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 8 of Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ D:Na301 b:63.7 occ:1.00 H D:THR169 2.3 68.7 1.0 HH22 D:ARG182 2.4 71.6 1.0 O D:GLY230 2.5 58.2 1.0 HH21 D:ARG182 2.6 71.6 1.0 O D:ALA225 2.7 46.9 1.0 NH2 D:ARG182 2.8 59.6 1.0 HA2 D:GLY228 2.8 62.6 1.0 HG23 D:THR169 2.9 62.9 1.0 HA D:ASP168 3.0 68.6 1.0 OG1 D:THR169 3.1 53.9 1.0 N D:THR169 3.1 57.2 1.0 HA D:ALA225 3.3 60.7 1.0 HG1 D:THR169 3.3 64.6 1.0 H D:GLY230 3.3 62.6 1.0 OD1 D:ASP168 3.4 58.4 1.0 C D:GLY230 3.4 58.8 1.0 H D:GLY228 3.5 63.9 1.0 CA D:GLY228 3.5 52.2 1.0 CG2 D:THR169 3.6 52.4 1.0 C D:ALA225 3.7 52.2 1.0 CB D:THR169 3.7 51.8 1.0 C D:GLY228 3.8 51.1 1.0 HB1 D:ALA225 3.8 68.2 1.0 N D:GLY230 3.8 52.1 1.0 CG D:ASP168 3.8 64.8 1.0 CA D:ASP168 3.8 57.1 1.0 CA D:ALA225 3.9 50.6 1.0 HG21 D:THR169 3.9 62.9 1.0 C D:ASP168 3.9 64.5 1.0 N D:GLY228 4.0 53.3 1.0 CA D:THR169 4.0 61.8 1.0 CA D:GLY230 4.0 55.3 1.0 HA D:TYR231 4.0 67.9 1.0 CZ D:ARG182 4.1 61.0 1.0 H D:ILE229 4.1 59.8 1.0 N D:ILE229 4.1 49.8 1.0 HA2 D:GLY230 4.1 66.4 1.0 O D:GLY228 4.2 51.3 1.0 OD2 D:ASP168 4.3 58.1 1.0 HA3 D:GLY228 4.3 62.6 1.0 CB D:ALA225 4.3 56.8 1.0 HG21 D:VAL245 4.4 77.2 1.0 HG22 D:THR169 4.4 62.9 1.0 CB D:ASP168 4.4 56.3 1.0 N D:TYR231 4.4 56.6 1.0 H D:GLU170 4.5 70.2 1.0 HH12 D:ARG182 4.6 77.6 1.0 HA D:THR169 4.6 74.1 1.0 HB D:THR169 4.7 62.2 1.0 C D:ILE229 4.7 56.6 1.0 HE D:ARG182 4.7 76.1 1.0 CA D:TYR231 4.7 56.6 1.0 NH1 D:ARG182 4.8 64.6 1.0 HB2 D:ALA225 4.8 68.2 1.0 NE D:ARG182 4.9 63.4 1.0 N D:LEU226 4.9 48.9 1.0 O D:MET224 4.9 59.2 1.0 HB2 D:ASP168 4.9 67.5 1.0 HA3 D:GLY230 5.0 66.4 1.0 N D:ASP168 5.0 58.1 1.0

Sodium binding site 9 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 9 of Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ D:Na302 b:85.0 occ:1.00 H D:ILE213 1.9 70.7 1.0 H D:THR212 2.0 67.8 1.0 HA D:GLN211 2.2 88.6 1.0 N D:THR212 2.5 56.5 1.0 N D:ILE213 2.6 58.9 1.0 O D:PHE184 2.8 56.5 1.0 O D:ILE213 2.9 51.5 1.0 HG3 D:GLN186 2.9 67.2 1.0 CA D:GLN211 3.0 73.8 1.0 HE21 D:GLN186 3.1 81.9 1.0 C D:GLN211 3.1 73.7 1.0 C D:ILE213 3.2 51.0 1.0 HG3 D:GLN211 3.3 91.4 1.0 CA D:ILE213 3.4 55.7 1.0 C D:THR212 3.4 67.2 1.0 CA D:THR212 3.5 66.3 1.0 O D:LYS210 3.6 70.0 1.0 HB3 D:PHE184 3.7 60.3 1.0 HD13 D:LEU214 3.8 67.6 1.0 H D:GLN186 3.8 58.0 1.0 CG D:GLN186 3.9 56.0 1.0 NE2 D:GLN186 3.9 68.3 1.0 HB D:ILE213 3.9 57.2 1.0 N D:GLN211 4.0 73.2 1.0 CG D:GLN211 4.0 76.2 1.0 CB D:GLN211 4.0 74.0 1.0 C D:PHE184 4.1 57.3 1.0 OG1 D:THR212 4.1 62.6 1.0 N D:LEU214 4.1 48.7 1.0 HB2 D:GLN186 4.1 57.2 1.0 HA D:ILE213 4.1 66.8 1.0 HG2 D:GLN211 4.2 91.4 1.0 C D:LYS210 4.2 77.3 1.0 CB D:ILE213 4.2 47.6 1.0 HA D:THR212 4.2 79.5 1.0 HG13 D:ILE213 4.3 61.8 1.0 O D:GLN211 4.3 73.4 1.0 HA D:ILE185 4.4 63.7 1.0 CD D:GLN186 4.4 63.6 1.0 HG2 D:GLN186 4.4 67.2 1.0 CB D:THR212 4.5 62.6 1.0 N D:GLN186 4.5 48.3 1.0 H D:LEU214 4.5 58.4 1.0 HE22 D:GLN186 4.5 81.9 1.0 CB D:GLN186 4.5 47.7 1.0 CB D:PHE184 4.5 50.2 1.0 O D:THR212 4.5 62.8 1.0 HB2 D:GLN211 4.6 88.7 1.0 HB3 D:GLN211 4.6 88.7 1.0 H D:GLN211 4.6 87.8 1.0 O D:PRO183 4.7 73.8 1.0 CD1 D:LEU214 4.7 56.3 1.0 HA D:LEU214 4.7 51.1 1.0 HD2 D:PHE184 4.8 82.4 1.0 CG1 D:ILE213 4.8 51.5 1.0 CG D:PHE184 4.8 57.5 1.0 HG1 D:THR212 4.8 75.1 1.0 CA D:PHE184 4.9 59.9 1.0 HD12 D:LEU214 5.0 67.6 1.0 CD2 D:PHE184 5.0 68.7 1.0 N D:ILE185 5.0 50.6 1.0

Sodium binding site 10 out of 12 in the Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 10 of Crystal Structure of Ccpc Regulatory Domain in Complex with Citrate From Bacillus Amyloliquefaciens within 5.0Å range: probe atom residue distance (Å) B Occ D:Na303 b:70.0 occ:1.00 HB2 D:LYS204 2.6 70.7 1.0 HB2 D:GLN203 2.7 64.2 1.0 H D:LYS204 2.7 79.2 1.0 O D:HOH418 2.7 53.2 1.0 O D:TRP200 2.7 57.0 1.0 N D:LYS204 2.9 66.0 1.0 HB3 D:GLN203 3.1 64.2 1.0 HA D:TRP200 3.1 54.0 1.0 HD1 D:TRP200 3.1 66.7 1.0 HA D:LYS204 3.3 69.3 1.0 CB D:GLN203 3.3 53.5 1.0 CD1 D:TRP200 3.3 55.6 1.0 CB D:LYS204 3.3 58.9 1.0 CA D:LYS204 3.3 57.7 1.0 HG23 D:THR253 3.4 90.8 1.0 C D:GLN203 3.5 65.3 1.0 HG22 D:THR253 3.5 90.8 1.0 C D:TRP200 3.6 55.0 1.0 HA D:ASP252 3.7 85.3 1.0 NE1 D:TRP200 3.7 57.2 1.0 HB3 D:LYS204 3.8 70.7 1.0 CA D:TRP200 3.8 45.0 1.0 CG D:TRP200 3.8 58.5 1.0 CA D:GLN203 3.9 61.9 1.0 CG2 D:THR253 3.9 75.7 1.0 HE1 D:TRP200 3.9 68.6 1.0 HD2 D:LYS204 4.0 75.6 1.0 O D:GLN203 4.3 62.3 1.0 O D:LEU251 4.3 50.1 1.0 H D:GLN203 4.3 65.1 1.0 H D:THR253 4.3 87.4 1.0 CB D:TRP200 4.3 48.1 1.0 N D:THR253 4.4 72.8 1.0 HG21 D:THR253 4.4 90.8 1.0 N D:GLN203 4.4 54.2 1.0 CE2 D:TRP200 4.5 58.3 1.0 CA D:ASP252 4.5 71.1 1.0 C D:ASP252 4.5 74.3 1.0 CG D:LYS204 4.5 55.0 1.0 CD2 D:TRP200 4.5 61.5 1.0 CG D:GLN203 4.6 71.0 1.0 HB2 D:TRP200 4.6 57.7 1.0 CD D:LYS204 4.6 63.0 1.0 HG3 D:GLN203 4.6 85.2 1.0 HA D:THR253 4.6 92.7 1.0 HA D:GLN203 4.7 74.3 1.0 HD3 D:LYS204 4.7 75.6 1.0 O D:HIS199 4.8 47.6 1.0 C D:LYS204 4.8 55.7 1.0 HG3 D:LYS204 4.9 66.0 1.0 N D:TRP201 4.9 52.1 1.0 CA D:THR253 4.9 77.2 1.0

J.Chen, L.Wang, Y.Dong, N.C.Ha. Mechanistic Insights From the Crystal Structures of A Catabolite Control Protein C on Citrate-Responsive Mechanism To Be Published.