Potassium in PDB 2bfc: 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: 2bfc 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 / 1.64
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	145.341, 145.341, 69.185, 90.00, 90.00, 120.00
R / Rfree (%)	14.4 / 15.9

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 2bfc). 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: 2bfc:
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:K501 b:6.2 occ:1.00 O A:PRO163 2.6 9.0 1.0 O A:HOH2115 2.7 5.7 1.0 OE1 A:GLN112 2.8 12.1 1.0 O A:SER161 2.8 10.8 1.0 OE1 A:GLN167 2.9 7.9 1.0 OG A:SER161 2.9 8.8 1.0 OG1 A:THR166 3.0 9.6 1.0 CD A:GLN112 3.7 16.2 1.0 C A:SER161 3.7 8.9 1.0 C A:PRO163 3.7 7.5 1.0 CD A:GLN167 3.9 8.2 1.0 NE2 A:GLN112 3.9 16.8 1.0 N A:SER161 4.1 8.0 1.0 CB A:SER161 4.1 9.8 1.0 N A:THR166 4.2 8.8 1.0 O A:HOH2178 4.2 6.5 1.0 CA A:SER161 4.2 7.5 1.0 N A:GLN167 4.2 8.3 1.0 CB A:THR166 4.3 8.8 1.0 N A:ALA165 4.4 7.1 1.0 CA A:LEU164 4.4 7.5 1.0 N A:PRO163 4.4 8.0 1.0 CB A:GLN167 4.5 7.6 1.0 C A:SER162 4.5 7.6 1.0 N A:LEU164 4.5 7.5 1.0 O A:GLY111 4.5 11.5 1.0 C A:LEU164 4.6 7.9 1.0 O A:HOH2174 4.6 8.9 1.0 CA A:PRO163 4.6 7.5 1.0 CA A:THR166 4.7 8.2 1.0 CG A:GLN167 4.7 7.7 1.0 O A:HOH2116 4.7 6.4 1.0 N A:SER162 4.7 7.5 1.0 NE2 A:GLN167 4.8 10.1 1.0 CD A:PRO163 4.8 8.1 1.0 O A:SER162 4.8 8.4 1.0 OE2 B:GLU113 4.8 9.6 1.0 C A:THR166 4.9 7.5 1.0 CA A:GLN167 5.0 8.4 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:K502 b:9.3 occ:1.00 O B:GLY128 2.7 8.9 1.0 O B:ASN183 2.7 9.6 1.0 O B:CYS178 2.7 9.9 1.0 O B:ASP181 2.8 10.1 1.0 O B:HOH2156 2.8 8.4 1.0 O B:LEU130 3.0 9.3 1.0 OG1 B:THR131 3.5 8.2 1.0 C B:LEU130 3.7 9.6 1.0 C B:ASN183 3.8 8.4 1.0 C B:ASP181 3.9 8.5 1.0 C B:GLY128 3.9 9.1 1.0 C B:CYS178 3.9 8.4 1.0 O B:ILE179 3.9 8.9 1.0 SG B:CYS185 4.1 10.8 1.0 O B:HOH2163 4.1 20.9 1.0 N B:LEU130 4.1 8.1 1.0 N B:ASN183 4.2 9.9 1.0 C B:SER129 4.2 8.0 1.0 N B:CYS185 4.3 8.1 1.0 C B:ILE179 4.3 8.5 1.0 CA B:SER129 4.3 7.7 1.0 N B:ASP181 4.3 9.5 1.0 CB B:ASP181 4.4 9.6 1.0 CB B:CYS185 4.4 7.9 1.0 CA B:PRO184 4.4 6.8 1.0 N B:THR131 4.5 7.3 1.0 CA B:ASP181 4.5 9.5 1.0 CA B:ILE179 4.5 8.4 1.0 CA B:LEU130 4.5 7.3 1.0 N B:PRO184 4.5 8.7 1.0 N B:SER129 4.6 8.1 1.0 C B:PRO184 4.7 8.6 1.0 CA B:ASN183 4.7 8.8 1.0 O B:SER129 4.7 7.8 1.0 CA B:THR131 4.7 7.4 1.0 N B:ILE179 4.7 8.7 1.0 CB B:THR131 4.7 8.9 1.0 N B:LYS182 4.9 9.3 1.0 CA B:GLY128 4.9 9.3 1.0 CA B:CYS178 4.9 7.4 1.0 CA B:CYS185 5.0 7.0 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