Sodium in PDB 4jqa: AKR1C2 Complex with Mefenamic Acid

All present enzymatic activity of AKR1C2 Complex with Mefenamic Acid:
1.1.1.213; 1.3.1.20;

The structure of AKR1C2 Complex with Mefenamic Acid, PDB code: 4jqa was solved by Y.Yosaatmadja, J.U.Flanagan, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.90 / 1.45
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	144.979, 144.979, 201.512, 90.00, 90.00, 120.00
R / Rfree (%)	14.4 / 18.4

The binding sites of Sodium atom in the AKR1C2 Complex with Mefenamic Acid (pdb code 4jqa). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the AKR1C2 Complex with Mefenamic Acid, PDB code: 4jqa:

Sodium binding site 1 out of 1 in the AKR1C2 Complex with Mefenamic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of AKR1C2 Complex with Mefenamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Na404 b:42.0 occ:1.00 O2N A:NAP402 1.9 26.1 1.0 O A:TYR24 2.5 17.6 1.0 O3D A:NAP402 2.6 14.7 1.0 ND1 A:HIS222 2.7 37.9 1.0 CE1 A:HIS222 2.8 24.1 1.0 CG A:LYS270 3.2 15.4 1.0 CB A:LYS270 3.2 16.0 1.0 C3D A:NAP402 3.3 14.4 1.0 PN A:NAP402 3.4 20.8 1.0 C A:TYR24 3.5 16.8 1.0 CD A:LYS270 3.6 16.6 1.0 O3 A:NAP402 3.7 21.5 1.0 CB A:TYR24 3.7 19.0 1.0 CA A:TYR24 4.0 16.4 1.0 N A:TYR24 4.0 17.5 1.0 C5D A:NAP402 4.0 15.5 1.0 CG A:HIS222 4.0 30.8 1.0 CD2 A:TYR24 4.0 19.7 1.0 NE2 A:HIS222 4.1 36.2 1.0 O5D A:NAP402 4.2 17.6 1.0 C4D A:NAP402 4.2 14.1 1.0 CE A:LYS270 4.3 18.5 1.0 CG A:TYR24 4.4 18.9 1.0 O1N A:NAP402 4.5 28.0 1.0 N A:ALA25 4.6 17.1 1.0 C2D A:NAP402 4.7 13.1 1.0 CD2 A:HIS222 4.7 34.6 1.0 CA A:LYS270 4.8 15.6 1.0 C5B A:NAP402 4.8 23.2 1.0 C A:THR23 5.0 19.3 1.0 CB A:HIS222 5.0 31.7 1.0 CA A:ALA25 5.0 18.3 1.0

Y.Yosaatmadja, J.U.Flanagan, C.J.Squire. Structural Basis of Nsaid Selectivity For the Aldo-Keto Reductase 1C Family To Be Published.