Sodium in PDB 4i2r: 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens

The structure of 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens, PDB code: 4i2r was solved by L.Huo, I.Davis, L.Chen, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.47 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.566, 142.724, 175.006, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23.7

The binding sites of Sodium atom in the 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens (pdb code 4i2r). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens, PDB code: 4i2r:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase 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 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Na602 b:33.9 occ:1.00 O A:HOH861 2.2 43.7 1.0 O A:HOH859 2.3 43.8 1.0 OD1 A:ASN37 2.4 32.3 1.0 O A:GLU196 2.6 36.7 1.0 O A:ILE38 2.7 39.0 1.0 O A:ASP105 2.8 34.4 1.0 CG A:ASN37 3.6 30.4 1.0 C A:ILE38 3.7 36.7 1.0 C A:GLU196 3.7 36.2 1.0 N A:ILE38 3.7 35.3 1.0 C A:ASP105 3.8 34.2 1.0 CA A:ASP105 4.0 37.0 1.0 O A:HOH813 4.1 36.7 1.0 CA A:ILE38 4.3 37.4 1.0 CA A:GLU196 4.3 32.9 1.0 OE1 A:GLU196 4.4 38.1 1.0 ND2 A:ASN37 4.4 35.1 1.0 C A:ASN37 4.4 32.4 1.0 CB A:ASP105 4.5 40.0 1.0 CD A:PRO40 4.6 34.1 1.0 O A:ILE345 4.6 27.9 1.0 CA A:ASN37 4.6 33.3 1.0 N A:ASN39 4.7 35.4 1.0 CB A:ASN37 4.7 33.7 1.0 O A:HOH776 4.7 42.1 1.0 CB A:GLU196 4.8 34.2 1.0 CD1 A:ILE345 4.8 30.9 1.0 N A:SER197 4.8 33.7 1.0 O A:HOH717 4.9 30.7 1.0 CB A:ILE38 4.9 39.7 1.0 CG A:ASP105 4.9 43.1 1.0 N A:THR106 5.0 36.3 1.0

Sodium binding site 2 out of 4 in the 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase 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 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ B:Na602 b:39.9 occ:1.00 O B:HOH719 2.1 36.0 1.0 OD1 B:ASN37 2.4 39.9 1.0 O B:GLU196 2.5 32.2 1.0 O B:HOH712 2.6 39.2 1.0 O B:ILE38 2.6 39.9 1.0 O B:ASP105 3.2 31.2 1.0 C B:GLU196 3.6 33.7 1.0 CG B:ASN37 3.6 34.3 1.0 C B:ILE38 3.7 38.1 1.0 N B:ILE38 3.8 36.2 1.0 O B:HOH743 4.0 31.0 1.0 CA B:GLU196 4.1 30.8 1.0 C B:ASP105 4.1 31.1 1.0 CA B:ASP105 4.2 35.1 1.0 CA B:ILE38 4.3 34.2 1.0 ND2 B:ASN37 4.4 33.2 1.0 CB B:ASP105 4.5 38.0 1.0 C B:ASN37 4.5 34.9 1.0 OE1 B:GLU196 4.5 40.9 1.0 CB B:GLU196 4.6 33.0 1.0 O B:HOH831 4.6 42.1 1.0 CA B:ASN37 4.6 36.1 1.0 O B:HOH817 4.7 41.2 1.0 CB B:ASN37 4.7 35.6 1.0 N B:SER197 4.7 31.7 1.0 N B:ASN39 4.7 32.4 1.0 CD B:PRO40 4.8 34.1 1.0 O B:ILE345 4.8 26.6 1.0 CG B:ASP105 4.9 43.8 1.0 CB B:ILE38 4.9 34.7 1.0 CD1 B:ILE345 5.0 29.2 1.0 OD1 B:ASP105 5.0 44.2 1.0

Sodium binding site 3 out of 4 in the 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase 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 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ C:Na602 b:57.0 occ:1.00 O C:HOH836 2.1 45.8 1.0 O C:ASP105 2.5 49.1 1.0 O C:GLU196 2.5 47.2 1.0 O C:ILE38 2.8 57.4 1.0 OD1 C:ASN37 2.8 49.0 1.0 C C:ASP105 3.5 51.0 1.0 C C:GLU196 3.7 49.0 1.0 C C:ILE38 3.9 52.5 1.0 CA C:ASP105 4.0 53.5 1.0 O C:HOH822 4.0 45.5 1.0 CG C:ASN37 4.0 48.5 1.0 N C:ILE38 4.1 52.4 1.0 CA C:GLU196 4.2 46.1 1.0 O C:ILE345 4.4 44.8 1.0 CB C:ASP105 4.5 58.9 1.0 CA C:ILE38 4.5 52.2 1.0 CB C:GLU196 4.5 47.1 1.0 OE1 C:GLU196 4.5 49.8 1.0 CD1 C:ILE345 4.6 46.0 1.0 CD C:PRO40 4.6 55.6 1.0 ND2 C:ASN37 4.7 52.1 1.0 N C:THR106 4.7 47.2 1.0 CD1 C:ILE46 4.7 74.1 1.0 N C:SER197 4.8 49.5 1.0 N C:ASN39 4.9 46.0 1.0 C C:ASN37 4.9 54.3 1.0 CB C:ILE38 4.9 53.8 1.0

Sodium binding site 4 out of 4 in the 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase 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 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ D:Na602 b:35.5 occ:1.00 O D:HOH709 2.2 31.0 1.0 OD1 D:ASN37 2.4 39.7 1.0 O D:GLU196 2.5 36.8 1.0 O D:ILE38 2.6 33.5 1.0 O D:HOH730 2.7 44.9 1.0 O D:ASP105 3.1 38.9 1.0 CG D:ASN37 3.6 38.1 1.0 C D:GLU196 3.6 42.1 1.0 C D:ILE38 3.6 40.1 1.0 N D:ILE38 3.7 38.4 1.0 C D:ASP105 4.0 35.8 1.0 CA D:ASP105 4.1 39.1 1.0 CA D:GLU196 4.2 38.4 1.0 CA D:ILE38 4.2 37.5 1.0 C D:ASN37 4.4 34.9 1.0 ND2 D:ASN37 4.4 36.0 1.0 OE1 D:GLU196 4.4 50.1 1.0 CB D:ASP105 4.5 42.5 1.0 CA D:ASN37 4.5 39.1 1.0 CB D:ASN37 4.6 40.8 1.0 CD1 D:ILE46 4.7 48.2 1.0 N D:ASN39 4.7 36.7 1.0 N D:SER197 4.7 38.9 1.0 CD D:PRO40 4.7 35.2 1.0 CB D:GLU196 4.7 40.7 1.0 CG D:ASP105 4.8 50.5 1.0 OD1 D:ASP105 4.8 46.9 1.0 O D:HOH842 4.8 44.8 1.0 O D:ILE345 4.8 33.0 1.0 CB D:ILE38 4.9 39.1 1.0 O D:HOH825 4.9 38.8 1.0 CA D:SER197 5.0 37.4 1.0

L.Huo, I.Davis, L.Chen, A.Liu. 2.15 Angstroms X-Ray Crystal Structure of Nad- and Alternative Substrate-Bound 2-Aminomuconate 6-Semialdehyde Dehydrogenase From Pseudomonas Fluorescens To Be Published.