Potassium in PDB 2bff: 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: 2bff 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 / 1.46
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	145.133, 145.133, 69.360, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 16.6

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

The binding sites of Potassium atom in the Reactivity Modulation of Human Branched-Chain Alpha-Ketoacid Dehydrogenase By An Internal Molecular Switch (pdb code 2bff). 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: 2bff:
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:6.2 occ:1.00 O A:PRO163 2.6 8.7 1.0 O A:HOH2144 2.7 5.2 1.0 O A:SER161 2.8 7.6 1.0 OE1 A:GLN167 2.8 7.2 1.0 OG A:SER161 2.9 7.7 1.0 OG1 A:THR166 2.9 8.3 1.0 OE1 A:GLN112 3.0 3.0 0.5 C A:SER161 3.7 6.6 1.0 C A:PRO163 3.8 6.9 1.0 CD A:GLN167 3.9 7.2 1.0 CD A:GLN112 3.9 13.0 0.5 O B:HOH2112 4.0 5.5 1.0 CB A:SER161 4.0 6.7 1.0 N A:SER161 4.1 6.4 1.0 CA A:SER161 4.1 5.9 1.0 N A:GLN167 4.2 6.0 1.0 N A:THR166 4.2 6.2 1.0 NE2 A:GLN112 4.3 17.5 0.5 CB A:THR166 4.3 7.0 1.0 N A:PRO163 4.4 5.9 1.0 C A:SER162 4.4 7.3 0.5 CB A:GLN167 4.4 6.6 1.0 N A:ALA165 4.4 6.5 1.0 O A:HOH2147 4.5 6.2 1.0 O A:HOH2207 4.5 6.1 1.0 O A:GLY111 4.5 8.7 0.5 O A:SER162 4.6 7.6 0.5 CA A:LEU164 4.6 5.5 1.0 O A:GLY111 4.6 5.4 0.5 CA A:PRO163 4.6 7.5 1.0 N A:LEU164 4.6 6.5 1.0 CG A:GLN167 4.7 7.3 1.0 OE2 B:GLU113 4.7 7.7 1.0 C A:SER162 4.7 6.0 0.5 CA A:THR166 4.7 6.3 1.0 N A:SER162 4.7 6.8 0.5 NE2 A:GLN167 4.7 7.2 1.0 N A:SER162 4.7 5.9 0.5 C A:LEU164 4.7 6.3 1.0 CD A:PRO163 4.8 7.0 1.0 C A:THR166 4.9 6.5 1.0 CA A:GLN167 4.9 7.2 1.0 O A:GLN112 5.0 6.6 0.5

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:K1343 b:6.8 occ:1.00 O B:GLY128 2.6 7.0 1.0 O B:CYS178 2.7 7.4 1.0 O B:ASN183 2.7 6.3 1.0 O B:ASP181 2.8 7.2 1.0 O B:HOH2156 2.8 6.3 1.0 O B:LEU130 3.0 6.6 1.0 OG1 B:THR131 3.5 7.5 1.0 C B:LEU130 3.8 6.7 1.0 C B:ASN183 3.8 6.2 1.0 C B:GLY128 3.8 6.8 1.0 C B:ASP181 3.9 8.0 1.0 C B:CYS178 3.9 6.0 1.0 O B:ILE179 3.9 6.9 1.0 O B:HOH2165 4.1 19.8 1.0 SG B:CYS185 4.1 7.6 1.0 N B:LEU130 4.1 5.4 1.0 N B:ASN183 4.2 6.8 1.0 C B:SER129 4.2 5.9 1.0 N B:CYS185 4.3 6.5 1.0 C B:ILE179 4.3 6.8 1.0 CA B:SER129 4.4 5.5 1.0 CB B:ASP181 4.4 7.4 1.0 N B:ASP181 4.4 8.2 1.0 CB B:CYS185 4.4 6.3 1.0 CA B:ASP181 4.4 7.2 1.0 N B:THR131 4.5 6.8 1.0 CA B:PRO184 4.5 6.6 1.0 N B:PRO184 4.6 6.8 1.0 CA B:ILE179 4.6 6.8 1.0 CA B:LEU130 4.6 4.9 1.0 N B:SER129 4.6 6.2 1.0 CA B:ASN183 4.7 6.2 1.0 C B:PRO184 4.7 7.0 1.0 O B:SER129 4.7 6.4 1.0 CB B:THR131 4.7 6.2 1.0 N B:ILE179 4.7 6.7 1.0 CA B:THR131 4.7 5.3 1.0 CA B:CYS178 4.9 6.3 1.0 N B:LYS182 4.9 7.3 1.0 CA B:GLY128 4.9 6.6 1.0 OD2 B:ASP181 5.0 10.9 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