Sodium in PDB 4r4j: Crystal Structure of Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate

All present enzymatic activity of Crystal Structure of Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate:
1.2.1.11;

The structure of Crystal Structure of Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate, PDB code: 4r4j was solved by A.G.Pavlovsky, B.Thangavelu, P.Bhansali, R.E.Viola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.925, 98.842, 64.329, 90.00, 100.91, 90.00
R / Rfree (%)	15.1 / 19

The binding sites of Sodium atom in the Crystal Structure of Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate (pdb code 4r4j). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate, PDB code: 4r4j:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate


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 Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:15.2 occ:1.00 O A:ALA279 2.2 15.5 1.0 O A:PHE276 2.3 14.5 1.0 O A:ALA274 2.3 17.9 1.0 O A:HOH605 2.5 23.1 1.0 C A:PHE276 3.2 13.9 1.0 C A:ALA274 3.3 17.4 1.0 N A:PHE276 3.4 15.8 1.0 C A:ALA279 3.4 14.4 1.0 O A:ILE273 3.7 15.3 1.0 C A:ALA275 3.7 16.2 1.0 CA A:PHE276 3.9 15.0 1.0 N A:ALA279 4.0 14.5 1.0 O A:HOH610 4.0 29.0 1.0 N A:ALA275 4.1 15.7 1.0 N A:PRO277 4.1 14.3 1.0 CA A:ALA279 4.1 14.2 1.0 CA A:ALA275 4.2 16.9 1.0 CA A:ALA274 4.2 16.2 1.0 O A:ALA275 4.2 18.0 1.0 CA A:PRO277 4.3 14.9 1.0 CB A:ALA279 4.4 14.5 1.0 O A:HOH628 4.4 23.3 1.0 N A:GLY278 4.4 13.9 1.0 N A:VAL280 4.5 14.6 1.0 C A:PRO277 4.6 13.7 1.0 C A:ILE273 4.7 15.8 1.0 CB A:PHE276 4.7 14.8 1.0 CA A:VAL280 4.8 14.9 0.5 CA A:VAL280 4.8 14.9 0.5 N A:ALA274 5.0 15.5 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate


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 Complex SP_ASADH with 3-Carboxypropyl-Phthalic Acid and Nicotinamide Adenine Dinucleotide Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Na404 b:16.9 occ:1.00 O A:GLU343 2.3 17.5 1.0 O A:HOH678 2.6 23.1 1.0 C A:GLU343 3.4 16.3 1.0 CA A:GLU343 4.2 18.8 1.0 O A:HIS342 4.4 16.8 1.0 N A:ARG344 4.4 16.0 1.0 N A:GLY345 4.6 16.3 1.0 CA A:ARG344 4.6 17.3 1.0 C A:ARG344 4.7 16.2 1.0 O A:HOH677 4.9 33.0 1.0

A.G.Pavlovsky, B.Thangavelu, P.Bhansali, R.E.Viola. A Cautionary Tale of Structure-Guided Inhibitor Development Against An Essential Enzyme in the Aspartate-Biosynthetic Pathway Acta Crystallogr.,Sect.D V. 70 3244 2014.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004714023979