Sodium in PDB 4ou2: A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens

The structure of A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens, PDB code: 4ou2 was solved by L.Huo, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.93 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.571, 141.556, 174.630, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.5

The binding sites of Sodium atom in the A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens (pdb code 4ou2). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens, PDB code: 4ou2:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Na602 b:33.6 occ:1.00 O A:HOH786 2.5 29.9 1.0 OD1 A:ASN37 2.7 25.4 1.0 O A:HOH749 2.7 27.6 1.0 O A:GLU196 2.7 24.4 1.0 O A:ILE38 2.8 33.0 1.0 O A:ASP105 3.0 27.2 1.0 N A:ILE38 3.7 27.9 1.0 C A:ILE38 3.8 29.6 1.0 C A:GLU196 3.8 28.4 1.0 C A:ASP105 3.8 25.6 1.0 CA A:ASP105 3.9 25.3 1.0 CG A:ASN37 3.9 25.4 1.0 CA A:ILE38 4.3 26.5 1.0 CA A:GLU196 4.4 25.4 1.0 O A:HOH792 4.4 27.4 1.0 CB A:ASP105 4.4 24.3 1.0 C A:ASN37 4.5 24.4 1.0 OE1 A:GLU196 4.6 32.4 1.0 CA A:ASN37 4.6 24.9 1.0 CD A:PRO40 4.6 27.9 1.0 CD1 A:ILE46 4.7 33.8 1.0 ND2 A:ASN37 4.7 28.4 1.0 N A:ASN39 4.8 24.9 1.0 O A:HOH707 4.8 22.9 1.0 CG A:ASP105 4.8 26.9 1.0 O A:ILE345 4.8 25.5 1.0 CD1 A:ILE345 4.8 20.7 1.0 N A:SER197 4.8 25.7 1.0 CB A:GLU196 4.8 27.1 1.0 CB A:ASN37 4.9 25.0 1.0 CB A:ILE38 5.0 31.4 1.0

Sodium binding site 2 out of 4 in the A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ B:Na602 b:41.7 occ:1.00 O B:HOH798 2.5 32.1 1.0 OD1 B:ASN37 2.6 34.7 1.0 O B:HOH763 2.7 28.0 1.0 O B:GLU196 2.7 22.6 1.0 O B:ILE38 2.8 32.2 1.0 O B:ASP105 3.2 26.8 1.0 C B:ILE38 3.6 28.7 1.0 N B:ILE38 3.7 24.1 1.0 CG B:ASN37 3.7 28.5 1.0 C B:GLU196 3.9 27.5 1.0 CA B:ASP105 4.0 24.4 1.0 C B:ASP105 4.0 24.3 1.0 CA B:ILE38 4.2 28.4 1.0 O B:HOH764 4.3 30.0 1.0 ND2 B:ASN37 4.3 22.8 1.0 CD1 B:ILE46 4.3 27.5 1.0 CB B:ASP105 4.3 22.4 1.0 C B:ASN37 4.4 27.6 1.0 CA B:GLU196 4.4 24.2 1.0 CD B:PRO40 4.5 21.8 1.0 N B:ASN39 4.6 24.6 1.0 CG B:ASP105 4.7 27.8 1.0 CA B:ASN37 4.7 23.7 1.0 OD1 B:ASP105 4.7 27.1 1.0 CB B:ASN37 4.8 25.9 1.0 CB B:GLU196 4.9 25.4 1.0 OE1 B:GLU196 4.9 28.6 1.0 N B:SER197 4.9 22.1 1.0 CA B:ASN39 4.9 25.9 1.0 O B:ILE345 5.0 20.6 1.0 CB B:ILE38 5.0 27.6 1.0

Sodium binding site 3 out of 4 in the A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ C:Na602 b:49.4 occ:1.00 O C:GLU196 3.0 32.5 1.0 O C:ASP105 3.1 37.9 1.0 O C:ILE38 3.2 49.6 1.0 O C:ILE345 3.3 38.2 1.0 O C:HOH756 3.3 42.1 1.0 OE1 C:GLU196 3.5 40.4 1.0 CD1 C:ILE345 3.8 33.5 1.0 C C:GLU196 3.9 38.5 1.0 CG1 C:ILE345 4.0 32.4 1.0 CB C:GLU196 4.0 34.5 1.0 OD1 C:ASN37 4.0 42.7 1.0 CA C:GLU196 4.0 37.2 1.0 C C:ASP105 4.3 36.9 1.0 C C:ILE38 4.3 46.0 1.0 C C:ILE345 4.3 41.0 1.0 CD C:PRO40 4.4 42.2 1.0 CD C:GLU196 4.6 45.4 1.0 N C:ILE38 4.6 45.8 1.0 CG C:GLU196 4.9 33.4 1.0 CA C:ILE38 4.9 45.7 1.0 CG C:PRO40 4.9 46.1 1.0 CA C:ASP105 4.9 45.1 1.0 CB C:SER346 5.0 38.6 1.0

Sodium binding site 4 out of 4 in the A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of A 2.15 Angstroms X-Ray Crystal Structure of E268A 2-Aminomuconate 6- Semialdehyde Dehydrogenase Catalytic Intermediate From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ D:Na602 b:49.6 occ:1.00 N D:ILE38 3.1 30.1 1.0 O D:HOH702 3.1 36.4 1.0 O D:HOH924 3.1 38.3 1.0 O D:HOH868 3.2 39.3 1.0 OD1 D:ASN37 3.3 31.3 1.0 O D:ILE38 3.3 25.2 1.0 OE1 D:GLU196 3.4 38.6 1.0 O D:GLU196 3.6 21.8 1.0 CA D:ASN37 3.8 35.8 1.0 CA D:GLU196 3.8 31.0 1.0 CA D:ILE38 3.9 27.3 1.0 C D:ASN37 3.9 29.6 1.0 CB D:ILE38 4.0 26.2 1.0 C D:ILE38 4.0 30.0 1.0 C D:GLU196 4.1 30.4 1.0 O D:HOH755 4.1 30.6 1.0 CG D:ASN37 4.3 33.4 1.0 CB D:GLU196 4.4 27.8 1.0 CD D:GLU196 4.4 30.9 1.0 O D:ALA36 4.4 34.8 1.0 O D:GLU195 4.4 31.8 1.0 CG1 D:ILE38 4.5 29.9 1.0 CB D:ASN37 4.6 38.1 1.0 N D:GLU196 4.9 29.7 1.0 N D:ASN37 4.9 34.0 1.0 O D:ASP105 5.0 30.9 1.0

L.Huo, I.Davis, F.Liu, H.Iwaki, Y.Hasegawa, A.Liu. Crystallographic and Spectroscopic Snapshots Reveal A Dehydrogenase in Action Nat Commun 2014.
ISSN: ESSN 2041-1723
DOI: 10.1038/NCOMMS6935