Sodium in PDB 8uzk: Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Nadp+ Bound)

The structure of Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Nadp+ Bound), PDB code: 8uzk 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)	81.11 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.651, 99.365, 124.513, 90, 96.61, 90
R / Rfree (%)	16.1 / 19.9

The binding sites of Sodium atom in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Nadp+ Bound) (pdb code 8uzk). 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 (Nadp+ Bound), PDB code: 8uzk:
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 (Nadp+ 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 (Nadp+ Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na502 b:27.4 occ:1.00 O A:ILE27 2.4 22.0 1.0 O A:HOH694 2.4 34.7 1.0 OD1 A:ASP93 2.5 25.7 1.0 O A:VAL180 2.5 24.1 1.0 OG1 A:THR26 2.5 26.0 1.0 O A:ASP93 2.5 23.2 1.0 O A:HOH773 2.7 26.7 1.0 C A:ASP93 3.5 17.8 1.0 C A:ILE27 3.6 19.0 1.0 CG A:ASP93 3.6 27.2 1.0 N A:ILE27 3.6 21.7 1.0 C A:VAL180 3.7 22.1 1.0 CA A:ASP93 3.7 21.6 1.0 CB A:THR26 3.9 28.4 1.0 CA A:ILE27 4.2 23.6 1.0 C A:THR26 4.2 28.6 1.0 CB A:ASP93 4.2 20.9 1.0 CA A:THR26 4.4 21.8 1.0 CG2 A:THR181 4.4 25.9 1.0 O A:HOH800 4.5 34.2 1.0 CA A:THR181 4.5 22.9 1.0 OD2 A:ASP93 4.5 23.0 1.0 CD A:PRO29 4.5 23.1 1.0 CG1 A:VAL180 4.5 26.1 1.0 N A:THR181 4.6 20.9 1.0 N A:ASN28 4.6 23.3 1.0 N A:THR94 4.7 21.6 1.0 CA A:VAL180 4.7 29.4 1.0 CG1 A:ILE27 4.8 31.6 1.0 CG2 A:THR26 4.9 21.1 1.0 O A:LEU92 4.9 18.7 1.0 CD1 A:LEU35 5.0 31.8 1.0 CA A:ASN28 5.0 23.1 1.0

Sodium binding site 2 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Nadp+ 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 (Nadp+ Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Na502 b:31.2 occ:1.00 O B:VAL180 2.3 24.9 1.0 OD1 B:ASP93 2.3 28.3 1.0 O B:HOH672 2.4 35.6 1.0 OG1 B:THR26 2.4 29.0 1.0 O B:ASP93 2.4 31.5 1.0 O B:ILE27 2.8 25.9 1.0 O B:HOH662 3.1 37.7 1.0 CG B:ASP93 3.4 30.7 1.0 C B:ASP93 3.4 28.1 1.0 C B:VAL180 3.5 30.3 1.0 CA B:ASP93 3.7 29.5 1.0 N B:ILE27 3.8 31.7 1.0 CB B:THR26 3.8 27.5 1.0 C B:ILE27 3.9 29.9 1.0 CB B:ASP93 4.1 29.9 1.0 CG2 B:THR181 4.2 28.7 1.0 OD2 B:ASP93 4.2 25.6 1.0 CA B:THR181 4.3 20.3 1.0 C B:THR26 4.3 27.8 1.0 N B:THR181 4.3 24.8 1.0 CG1 B:VAL180 4.4 30.1 1.0 CA B:THR26 4.4 26.9 1.0 CA B:ILE27 4.4 30.8 1.0 CA B:VAL180 4.5 28.8 1.0 N B:THR94 4.6 22.6 1.0 CG2 B:THR26 4.7 26.8 1.0 CD B:PRO29 4.7 27.5 1.0 CB B:THR181 4.9 21.9 1.0 CD1 B:LEU35 4.9 28.7 1.0 N B:ASN28 5.0 31.0 1.0 O B:LEU92 5.0 27.6 1.0 O B:VAL329 5.0 27.5 1.0

Sodium binding site 3 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Nadp+ 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 (Nadp+ Bound) within 5.0Å range: probe atom residue distance (Å) B Occ C:Na502 b:33.0 occ:1.00 OD1 C:ASP93 2.3 24.7 1.0 O C:ASP93 2.4 23.0 1.0 O C:VAL180 2.4 22.4 1.0 O C:HOH708 2.5 30.1 1.0 OG1 C:THR26 2.5 27.4 1.0 O C:ILE27 2.9 34.0 1.0 C C:ASP93 3.3 23.4 1.0 CG C:ASP93 3.3 26.2 1.0 CA C:ASP93 3.6 25.3 1.0 C C:VAL180 3.6 23.8 1.0 O C:HOH783 3.9 32.2 1.0 CB C:THR26 3.9 26.0 1.0 C C:ILE27 4.0 36.1 1.0 N C:ILE27 4.0 30.2 1.0 CB C:ASP93 4.0 25.9 1.0 CG2 C:THR181 4.2 26.6 1.0 OD2 C:ASP93 4.2 22.3 1.0 CA C:THR181 4.3 24.2 1.0 N C:THR181 4.4 23.1 1.0 C C:THR26 4.4 26.4 1.0 CA C:THR26 4.6 34.7 1.0 N C:THR94 4.6 21.6 1.0 CG1 C:VAL180 4.6 31.0 1.0 CD1 C:LEU35 4.6 31.4 1.0 CA C:ILE27 4.6 32.9 1.0 CA C:VAL180 4.7 21.5 1.0 CD C:PRO29 4.8 30.2 1.0 CB C:THR181 4.8 25.8 1.0 CG2 C:THR26 4.8 30.8 1.0 O C:LEU92 4.9 25.5 1.0 N C:ASP93 4.9 20.9 1.0

Sodium binding site 4 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Klebsiella Aerogenes (Nadp+ 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 (Nadp+ Bound) within 5.0Å range: probe atom residue distance (Å) B Occ D:Na503 b:26.9 occ:1.00 O D:HOH723 2.4 36.4 1.0 O D:ASP93 2.4 20.5 1.0 OD1 D:ASP93 2.4 30.3 1.0 O D:VAL180 2.5 27.0 1.0 OG1 D:THR26 2.6 23.2 1.0 O D:ILE27 2.6 30.9 1.0 C D:ASP93 3.3 25.3 1.0 O D:HOH759 3.4 27.4 1.0 CG D:ASP93 3.5 32.2 1.0 CA D:ASP93 3.6 24.3 1.0 C D:ILE27 3.7 32.3 1.0 C D:VAL180 3.8 26.0 1.0 N D:ILE27 3.8 23.5 1.0 CB D:THR26 4.0 23.1 1.0 CB D:ASP93 4.1 24.3 1.0 CG2 D:THR181 4.3 28.8 1.0 C D:THR26 4.3 24.4 1.0 CA D:ILE27 4.4 27.2 1.0 OD2 D:ASP93 4.4 26.4 1.0 CA D:THR181 4.5 24.6 1.0 CA D:THR26 4.5 23.7 1.0 CD D:PRO29 4.5 23.9 1.0 N D:THR181 4.6 25.7 1.0 N D:THR94 4.6 22.1 1.0 CG1 D:VAL180 4.6 30.2 1.0 CA D:VAL180 4.7 23.9 1.0 N D:ASN28 4.8 27.4 1.0 O D:VAL329 4.9 21.7 1.0 CG2 D:THR26 4.9 27.3 1.0 O D:LEU92 4.9 22.6 1.0 N D:ASP93 5.0 29.5 1.0

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