Sodium in PDB 5kln: Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+

The structure of Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+, PDB code: 5kln was solved by Y.Yang, I.Davis, U.Ha, Y.Wang, I.Shin, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.54 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.698, 140.991, 173.272, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.2

The binding sites of Sodium atom in the Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+ (pdb code 5kln). 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 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+, PDB code: 5kln:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+


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 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Na602 b:32.6 occ:1.00 O A:ASP105 3.0 34.0 1.0 OD1 A:ASN37 3.0 41.0 1.0 O A:GLU196 3.0 39.4 1.0 O A:ILE38 3.0 40.6 1.0 O A:HOH872 3.2 39.9 1.0 O A:HOH707 3.2 46.5 1.0 N A:ILE38 3.8 35.6 1.0 C A:ILE38 3.8 41.6 1.0 C A:ASP105 3.8 35.3 1.0 CA A:ASP105 3.9 36.0 1.0 C A:GLU196 3.9 36.7 1.0 CG A:ASN37 4.0 42.1 1.0 CB A:ASP105 4.3 36.2 1.0 CA A:ILE38 4.4 40.4 1.0 CD A:PRO40 4.4 34.1 1.0 CA A:GLU196 4.4 36.5 1.0 C A:ASN37 4.5 41.5 1.0 CD1 A:ILE46 4.6 41.1 1.0 N A:ASN39 4.7 37.4 1.0 CA A:ASN37 4.7 38.0 1.0 OE1 A:GLU196 4.8 43.8 1.0 ND2 A:ASN37 4.8 40.0 1.0 CG A:ASP105 4.8 38.9 1.0 O A:HOH787 4.8 35.0 1.0 CD1 A:ILE345 4.9 31.4 1.0 CB A:GLU196 4.9 37.2 1.0 OD1 A:ASP105 4.9 37.6 1.0 N A:SER197 4.9 33.1 1.0

Sodium binding site 2 out of 4 in the Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+


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 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Na602 b:60.4 occ:1.00 O D:ILE38 3.2 52.1 1.0 O D:HOH720 3.3 55.2 1.0 O D:GLU196 3.3 45.0 1.0 O D:ILE345 3.3 42.2 1.0 OE1 D:GLU196 3.4 52.3 1.0 O D:ASP105 3.4 43.6 1.0 CD1 D:ILE345 3.9 40.6 1.0 CB D:GLU196 4.0 40.6 1.0 CG1 D:ILE345 4.1 35.5 1.0 OD1 D:ASN37 4.1 44.9 1.0 C D:GLU196 4.1 46.7 1.0 CA D:GLU196 4.1 44.3 1.0 C D:ILE38 4.3 52.0 1.0 C D:ILE345 4.4 41.8 1.0 N D:ILE38 4.5 47.1 1.0 CD D:GLU196 4.5 51.8 1.0 CD D:PRO40 4.6 48.9 1.0 C D:ASP105 4.6 40.3 1.0 CA D:ILE38 4.8 48.6 1.0 CG D:GLU196 4.9 49.1 1.0 CB D:ILE38 4.9 51.4 1.0 CG D:PRO40 5.0 43.1 1.0

Sodium binding site 3 out of 4 in the Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+


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 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Na602 b:27.7 occ:1.00 O B:GLU196 2.9 33.0 1.0 O B:ILE38 2.9 32.8 1.0 OD1 B:ASN37 2.9 36.5 1.0 O B:ASP105 2.9 28.9 1.0 O B:HOH883 3.1 36.1 1.0 O B:HOH708 3.1 42.9 1.0 N B:ILE38 3.7 30.6 1.0 C B:ASP105 3.8 29.5 1.0 C B:ILE38 3.9 37.4 1.0 C B:GLU196 3.9 34.8 1.0 CA B:ASP105 3.9 32.8 1.0 CG B:ASN37 4.1 36.5 1.0 CB B:ASP105 4.3 30.2 1.0 CA B:ILE38 4.4 33.1 1.0 CA B:GLU196 4.4 30.2 1.0 C B:ASN37 4.5 34.0 1.0 CD B:PRO40 4.5 31.9 1.0 OE1 B:GLU196 4.7 44.4 1.0 CA B:ASN37 4.7 34.3 1.0 O B:HOH752 4.7 33.5 1.0 CB B:GLU196 4.8 32.4 1.0 CD1 B:ILE46 4.8 35.0 1.0 CG B:ASP105 4.8 32.4 1.0 CD1 B:ILE345 4.8 29.9 1.0 N B:ASN39 4.9 30.9 1.0 N B:SER197 4.9 26.3 1.0 ND2 B:ASN37 4.9 32.5 1.0 O B:ILE345 4.9 29.1 1.0 CB B:ILE38 5.0 36.8 1.0

Sodium binding site 4 out of 4 in the Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+


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 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Na602 b:30.0 occ:1.00 O C:GLU196 2.9 33.5 1.0 O C:ILE38 2.9 39.1 1.0 O C:ASP105 3.0 31.1 1.0 OD1 C:ASN37 3.0 36.0 1.0 O C:HOH838 3.1 37.1 1.0 O C:HOH707 3.3 47.9 1.0 C C:ASP105 3.8 32.9 1.0 C C:ILE38 3.9 43.8 1.0 N C:ILE38 3.9 39.3 1.0 CA C:ASP105 4.0 32.6 1.0 C C:GLU196 4.0 34.7 1.0 CG C:ASN37 4.2 35.5 1.0 CD C:PRO40 4.4 34.5 1.0 CA C:ILE38 4.5 37.1 1.0 CA C:GLU196 4.5 33.5 1.0 CB C:ASP105 4.5 30.2 1.0 CD1 C:ILE46 4.6 38.3 1.0 C C:ASN37 4.6 39.7 1.0 OE1 C:GLU196 4.7 43.5 1.0 O C:ILE345 4.8 28.4 1.0 CD1 C:ILE345 4.8 29.1 1.0 CB C:GLU196 4.9 33.9 1.0 CA C:ASN37 4.9 37.0 1.0 N C:ASN39 4.9 40.0 1.0 CG C:ASP105 4.9 38.4 1.0 ND2 C:ASN37 5.0 36.8 1.0 OD1 C:ASP105 5.0 35.0 1.0

Y.Yang, A.Liu. Crystal Structure of 2-Aminomuconate 6-Semialdehyde Dehydrogenase N169A in Binary Complex with Nad+ To Be Published.