Potassium in PDB 2beu: Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch

All present enzymatic activity of Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch:
1.2.4.4;

The structure of Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch, PDB code: 2beu was solved by M.Machius, R.M.Wynn, J.L.Chuang, D.R.Tomchick, C.A.Brautigam, D.T.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.89
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	145.789, 145.789, 69.525, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 21.1

The structure of Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Potassium atom in the Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch (pdb code 2beu). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch, PDB code: 2beu:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch within 5.0Å range: probe atom residue distance (Å) B Occ A:K1401 b:18.7 occ:1.00 O A:PRO163 2.7 12.1 1.0 O A:HOH2089 2.7 8.7 1.0 OE1 A:GLN167 2.8 10.5 1.0 O A:SER161 3.0 11.4 1.0 OG A:SER161 3.1 12.0 1.0 OG1 A:THR166 3.1 15.1 1.0 O A:HOH2091 3.1 15.5 1.0 C A:SER161 3.8 11.5 1.0 C A:PRO163 3.8 12.9 1.0 CD A:GLN167 3.9 10.7 1.0 O B:HOH2082 3.9 11.7 1.0 N A:SER161 4.1 9.8 1.0 N A:GLN167 4.2 12.8 1.0 CB A:SER161 4.2 12.0 1.0 CA A:SER161 4.3 11.2 1.0 N A:THR166 4.3 9.7 1.0 CB A:GLN167 4.4 12.4 1.0 N A:PRO163 4.4 12.0 1.0 O A:HOH2092 4.4 9.0 1.0 CB A:THR166 4.4 13.6 1.0 O A:HOH2137 4.4 8.3 1.0 N A:ALA165 4.5 9.3 1.0 C A:SER162 4.6 11.9 1.0 O A:GLY111 4.6 13.0 1.0 OE2 B:GLU113 4.6 13.5 1.0 CA A:PRO163 4.7 12.4 1.0 CG A:GLN167 4.7 10.2 1.0 N A:SER162 4.7 10.1 1.0 NE2 A:GLN167 4.7 11.9 1.0 N A:LEU164 4.7 12.3 1.0 CA A:LEU164 4.7 9.8 1.0 CD A:PRO163 4.7 9.5 1.0 CA A:THR166 4.8 11.0 1.0 C A:LEU164 4.8 10.7 1.0 O A:SER162 4.9 11.9 1.0 CA A:GLN167 4.9 12.5 1.0 C A:THR166 4.9 12.4 1.0 CB A:PRO163 4.9 13.8 1.0

Potassium binding site 2 out of 2 in the Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch within 5.0Å range: probe atom residue distance (Å) B Occ B:K1344 b:21.9 occ:1.00 O B:GLY128 2.7 14.1 1.0 O B:ASN183 2.7 14.6 1.0 O B:CYS178 2.8 11.3 1.0 O B:ASP181 2.8 11.6 1.0 O B:LEU130 3.0 10.5 1.0 O B:HOH2120 3.1 10.5 1.0 OG1 B:THR131 3.6 12.7 1.0 C B:ASN183 3.8 14.5 1.0 C B:ASP181 3.8 13.3 1.0 C B:LEU130 3.9 11.8 1.0 C B:GLY128 3.9 13.3 1.0 O B:ILE179 3.9 11.9 1.0 C B:CYS178 4.0 12.7 1.0 SG B:CYS185 4.0 14.4 1.0 N B:ASN183 4.2 13.3 1.0 N B:LEU130 4.3 11.4 1.0 CB B:ASP181 4.3 15.0 1.0 C B:ILE179 4.3 12.6 1.0 C B:SER129 4.3 11.0 1.0 N B:CYS185 4.3 12.9 1.0 N B:ASP181 4.3 14.3 1.0 CA B:SER129 4.3 12.3 1.0 O B:HOH2126 4.3 31.3 1.0 CA B:ASP181 4.4 13.8 1.0 CB B:CYS185 4.4 11.9 1.0 CA B:PRO184 4.5 13.9 1.0 N B:PRO184 4.5 15.0 1.0 N B:SER129 4.6 12.0 1.0 N B:THR131 4.6 11.8 1.0 CA B:ILE179 4.6 12.1 1.0 CA B:ASN183 4.7 13.8 1.0 CA B:LEU130 4.7 11.1 1.0 C B:PRO184 4.7 13.7 1.0 N B:ILE179 4.8 11.7 1.0 CB B:THR131 4.8 11.2 1.0 O B:SER129 4.8 11.2 1.0 N B:LYS182 4.8 12.5 1.0 CA B:THR131 4.9 12.2 1.0 OD1 B:ASP181 5.0 19.5 1.0 CA B:CYS178 5.0 12.8 1.0 CA B:GLY128 5.0 13.9 1.0 C B:GLU180 5.0 14.7 1.0

M.Machius, R.M.Wynn, J.L.Chuang, J.Li, R.Kluger, D.Yu, D.R.Tomchick, C.A.Brautigam, D.T.Chuang. A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure V. 14 287 2006.
ISSN: ISSN 0969-2126
PubMed: 16472748
DOI: 10.1016/J.STR.2005.10.009