Sodium in PDB 8uzn: Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound)

The structure of Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound), PDB code: 8uzn was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural 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)	123.07 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	83.883, 100.503, 123.717, 90, 95.87, 90
R / Rfree (%)	18.6 / 21.5

The binding sites of Sodium atom in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound) (pdb code 8uzn). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound), PDB code: 8uzn:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound)


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 Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na502 b:48.0 occ:1.00 OD1 A:ASP93 2.3 52.0 1.0 O A:HOH664 2.4 50.6 1.0 O A:VAL180 2.4 42.4 1.0 OG1 A:THR26 2.5 52.3 1.0 O A:ASP93 2.5 44.5 1.0 O A:ILE27 2.6 50.6 1.0 CG A:ASP93 3.4 54.9 1.0 C A:ASP93 3.4 35.8 1.0 C A:VAL180 3.6 43.1 1.0 N A:ILE27 3.7 63.9 1.0 CA A:ASP93 3.7 43.5 1.0 C A:ILE27 3.7 47.6 1.0 CB A:THR26 3.9 43.1 1.0 CB A:ASP93 4.1 46.7 1.0 C A:THR26 4.2 52.0 1.0 CA A:ILE27 4.3 48.5 1.0 OD2 A:ASP93 4.3 47.8 1.0 CD A:PRO29 4.3 51.5 1.0 CG1 A:VAL180 4.3 43.1 1.0 CG2 A:THR181 4.3 44.8 1.0 CA A:THR26 4.4 46.3 1.0 CA A:THR181 4.5 45.9 1.0 N A:THR181 4.5 37.9 1.0 CA A:VAL180 4.6 37.0 1.0 CD1 A:LEU35 4.6 54.4 1.0 N A:THR94 4.7 37.5 1.0 N A:ASN28 4.8 46.4 1.0 CG2 A:THR26 4.8 49.2 1.0 O A:LEU92 5.0 50.8 1.0

Sodium binding site 2 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound)


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 Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Na502 b:48.8 occ:1.00 O B:ASP93 2.4 45.7 1.0 O B:VAL180 2.5 51.8 1.0 OD1 B:ASP93 2.5 51.7 1.0 OG1 B:THR26 2.6 42.2 1.0 O B:ILE27 2.6 51.6 1.0 O B:HOH721 3.1 53.1 1.0 C B:ASP93 3.4 41.4 1.0 CG B:ASP93 3.5 51.0 1.0 N B:ILE27 3.6 59.7 1.0 C B:VAL180 3.7 50.7 1.0 C B:ILE27 3.7 55.2 1.0 CA B:ASP93 3.7 46.7 1.0 CB B:THR26 4.0 48.9 1.0 CB B:ASP93 4.2 39.6 1.0 CG1 B:VAL180 4.2 56.6 1.0 C B:THR26 4.3 45.6 1.0 CA B:ILE27 4.3 54.3 1.0 CA B:THR26 4.4 44.5 1.0 CG2 B:THR181 4.5 42.9 1.0 CA B:VAL180 4.5 39.6 1.0 OD2 B:ASP93 4.5 46.3 1.0 CD B:PRO29 4.6 51.1 1.0 N B:THR181 4.6 39.7 1.0 N B:THR94 4.7 41.4 1.0 CA B:THR181 4.7 43.0 1.0 N B:ASN28 4.8 50.8 1.0 O B:LEU92 4.9 41.2 1.0 CG2 B:THR26 4.9 43.8 1.0 CD1 B:LEU35 4.9 53.3 1.0 CB B:VAL180 5.0 51.3 1.0

Sodium binding site 3 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound)


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 Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound) within 5.0Å range: probe atom residue distance (Å) B Occ C:Na502 b:63.5 occ:1.00 O C:HOH649 2.3 55.9 1.0 OD1 C:ASP93 2.4 61.7 1.0 OG1 C:THR26 2.4 51.8 1.0 O C:VAL180 2.5 64.9 1.0 O C:ILE27 2.6 69.0 1.0 O C:ASP93 2.7 59.4 1.0 CG C:ASP93 3.5 65.8 1.0 N C:ILE27 3.5 64.5 1.0 C C:ILE27 3.6 65.8 1.0 C C:ASP93 3.7 52.8 1.0 C C:VAL180 3.7 56.1 1.0 O C:HOH732 3.7 54.6 1.0 CB C:THR26 3.8 58.6 1.0 CA C:ASP93 3.8 50.6 1.0 C C:THR26 4.1 62.3 1.0 CA C:ILE27 4.2 55.0 1.0 CB C:ASP93 4.2 58.8 1.0 CA C:THR26 4.3 64.7 1.0 CG2 C:THR181 4.3 56.6 1.0 OD2 C:ASP93 4.3 49.7 1.0 CG1 C:VAL180 4.4 56.5 1.0 CD1 C:LEU35 4.4 69.1 1.0 CA C:THR181 4.5 56.7 1.0 N C:THR181 4.6 52.7 1.0 CG2 C:THR26 4.7 53.1 1.0 CA C:VAL180 4.7 63.6 1.0 N C:ASN28 4.7 65.9 1.0 CD C:PRO29 4.7 57.0 1.0 N C:THR94 4.9 47.4 1.0 O C:THR26 4.9 60.8 1.0

Sodium binding site 4 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound)


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 Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound) within 5.0Å range: probe atom residue distance (Å) B Occ D:Na502 b:78.9 occ:1.00 O D:VAL180 2.3 71.2 1.0 O D:ASP93 2.4 75.2 1.0 OD1 D:ASP93 2.9 73.8 1.0 OG1 D:THR26 3.0 74.8 1.0 O D:ILE27 3.3 92.0 1.0 C D:ASP93 3.5 70.1 1.0 C D:VAL180 3.5 70.9 1.0 CG1 D:VAL180 3.7 77.2 1.0 CG2 D:THR181 3.8 72.8 1.0 CG D:ASP93 3.8 74.2 1.0 CA D:ASP93 4.0 76.7 1.0 N D:ILE27 4.2 81.0 1.0 O D:VAL329 4.3 103.3 1.0 CB D:THR26 4.3 69.5 1.0 CA D:VAL180 4.3 61.6 1.0 C D:ILE27 4.3 94.1 1.0 N D:THR181 4.4 73.4 1.0 CB D:ASP93 4.4 67.1 1.0 CA D:THR181 4.4 74.0 1.0 CB D:VAL180 4.6 72.5 1.0 N D:THR94 4.6 70.3 1.0 OD2 D:ASP93 4.7 68.9 1.0 C D:THR26 4.7 76.7 1.0 CA D:THR26 4.7 79.9 1.0 CB D:THR181 4.7 73.7 1.0 CG2 D:VAL329 4.8 93.7 1.0 CD D:PRO29 4.8 96.4 1.0 CA D:ILE27 4.9 92.1 1.0 CA D:THR94 4.9 72.2 1.0

L.Liu, S.Lovell, K.P.Battaile, A.Cooper. Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Amp Bound) To Be Published.