Sodium in PDB 3fvu: Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid

All present enzymatic activity of Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid:
2.6.1.64; 2.6.1.7; 4.4.1.13;

The structure of Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid, PDB code: 3fvu was solved by Q.Han, H.Robinson, T.Cai, D.A.Tagle, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.22 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.364, 108.454, 81.867, 90.00, 114.20, 90.00
R / Rfree (%)	18.5 / 21

The binding sites of Sodium atom in the Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid (pdb code 3fvu). 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 Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid, PDB code: 3fvu:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid


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 Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Na427 b:34.3 occ:1.00 O A:HOH641 2.2 27.5 1.0 O A:HOH537 2.4 46.6 1.0 O A:HOH431 2.4 41.8 1.0 O A:HIS206 2.4 26.4 1.0 O A:HOH702 2.6 35.8 1.0 O A:HOH438 2.7 39.6 1.0 C A:HIS206 3.5 25.9 1.0 O A:SER173 4.0 21.8 1.0 CA A:HIS206 4.1 26.5 1.0 CA A:SER173 4.3 21.6 1.0 O A:THR172 4.3 21.8 1.0 CB A:HIS206 4.3 26.9 1.0 C A:SER173 4.5 21.0 1.0 O A:ASP207 4.5 23.8 1.0 O A:HOH642 4.5 39.4 1.0 CB A:ASP207 4.5 24.7 1.0 N A:ASP207 4.5 25.2 1.0 O A:HOH519 4.6 44.9 1.0 O A:THR175 4.8 18.9 1.0 C A:ASP207 4.8 23.8 1.0 CA A:ASP207 4.8 24.4 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid


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 Human Kynurenine Aminotransferase I in Complex with Indole-3-Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Na426 b:28.4 occ:1.00 O B:HOH529 2.2 30.5 1.0 O B:HOH658 2.3 22.5 1.0 O B:HIS206 2.4 20.6 1.0 O B:HOH530 2.5 34.6 1.0 O B:HOH447 2.5 28.1 1.0 O B:HOH703 2.7 31.9 1.0 C B:HIS206 3.6 19.9 1.0 O B:SER173 4.0 21.9 1.0 O B:HOH627 4.1 40.3 1.0 CA B:HIS206 4.2 20.7 1.0 CA B:SER173 4.4 20.9 1.0 CB B:HIS206 4.4 20.7 1.0 O B:HOH500 4.4 32.4 1.0 O B:THR172 4.4 20.1 1.0 O B:ASP207 4.5 18.7 1.0 C B:SER173 4.5 20.9 1.0 CB B:ASP207 4.6 20.6 1.0 N B:ASP207 4.6 19.9 1.0 O B:THR175 4.7 16.9 1.0 C B:ASP207 4.9 18.9 1.0 CA B:ASP207 4.9 19.7 1.0

Q.Han, H.Robinson, T.Cai, D.A.Tagle, J.Li. Structural Insight Into the Inhibition of Human Kynurenine Aminotransferase I/Glutamine Transaminase K J.Med.Chem. V. 52 2786 2009.
ISSN: ISSN 0022-2623
PubMed: 19338303
DOI: 10.1021/JM9000874