Potassium in PDB 2bfd: 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: 2bfd 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 / 1.39
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	144.839, 144.839, 69.247, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 17

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)	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 2bfd). 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: 2bfd:
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:10.7 occ:1.00 O A:PRO163 2.6 15.4 1.0 O A:HOH2117 2.7 11.5 1.0 OE1 A:GLN167 2.8 11.6 1.0 OG A:SER161 2.8 12.3 1.0 O A:SER161 2.8 12.9 1.0 OG1 A:THR166 2.8 12.8 1.0 OE1 A:GLN112 3.0 8.6 0.3 C A:SER161 3.7 12.5 1.0 C A:PRO163 3.8 13.4 1.0 O B:HOH2103 3.8 12.0 1.0 CD A:GLN167 3.9 11.4 1.0 CD A:GLN112 4.0 13.6 0.3 N A:GLN167 4.0 10.1 1.0 CB A:SER161 4.0 12.7 1.0 N A:SER161 4.0 12.3 1.0 N A:THR166 4.1 10.1 1.0 CA A:SER161 4.2 12.6 1.0 CB A:THR166 4.2 10.8 1.0 CB A:GLN167 4.3 11.3 1.0 N A:PRO163 4.4 11.1 1.0 OE2 B:GLU113 4.4 12.3 1.0 O A:GLY111 4.5 12.5 0.5 O A:HOH2180 4.5 11.6 1.0 CA A:THR166 4.5 10.3 1.0 N A:ALA165 4.6 10.4 1.0 CA A:PRO163 4.6 12.5 1.0 NE2 A:GLN112 4.6 12.9 0.3 CG A:GLN167 4.6 11.9 1.0 CD A:PRO163 4.7 12.1 1.0 C A:SER162 4.7 13.6 1.0 C A:THR166 4.7 9.9 1.0 O A:GLY111 4.7 11.7 0.5 N A:LEU164 4.8 11.3 1.0 CA A:LEU164 4.8 11.6 1.0 N A:SER162 4.8 14.0 1.0 NE2 A:GLN167 4.8 13.4 1.0 CA A:GLN167 4.8 10.0 1.0 C A:LEU164 4.8 11.8 1.0 CB A:PRO163 4.8 11.7 1.0 CG2 A:THR166 5.0 13.1 1.0 O A:SER162 5.0 14.4 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:11.2 occ:1.00 O B:GLY128 2.6 11.3 1.0 O B:ASN183 2.7 9.7 1.0 O B:CYS178 2.7 10.1 1.0 O B:ASP181 2.8 10.9 1.0 O B:HOH2148 2.8 10.9 1.0 O B:LEU130 3.0 10.3 1.0 OG1 B:THR131 3.5 10.8 1.0 C B:LEU130 3.7 7.5 1.0 C B:ASN183 3.8 9.2 1.0 C B:GLY128 3.8 10.8 1.0 C B:ASP181 3.8 10.1 1.0 O B:ILE179 3.9 11.4 1.0 C B:CYS178 3.9 9.8 1.0 SG B:CYS185 4.1 12.3 1.0 N B:LEU130 4.1 8.8 1.0 N B:ASN183 4.2 8.8 1.0 O B:HOH2156 4.2 25.3 1.0 C B:SER129 4.2 9.1 1.0 CB B:CYS185 4.3 11.0 1.0 N B:CYS185 4.3 9.4 1.0 C B:ILE179 4.3 10.5 1.0 N B:ASP181 4.3 10.9 1.0 CB B:ASP181 4.3 12.6 1.0 CA B:SER129 4.4 9.0 1.0 CA B:ASP181 4.4 10.3 1.0 CA B:PRO184 4.4 8.3 1.0 N B:THR131 4.4 8.6 1.0 N B:PRO184 4.5 8.7 1.0 CA B:LEU130 4.6 8.5 1.0 CA B:ILE179 4.6 9.3 1.0 N B:SER129 4.6 8.9 1.0 CA B:ASN183 4.7 8.9 1.0 C B:PRO184 4.7 9.0 1.0 CB B:THR131 4.7 8.5 1.0 CA B:THR131 4.7 8.4 1.0 O B:SER129 4.7 9.9 1.0 N B:ILE179 4.7 9.2 1.0 N B:LYS182 4.9 9.5 1.0 CA B:GLY128 4.9 9.9 1.0 CA B:CYS178 4.9 9.4 1.0 OD2 B:ASP181 5.0 15.5 1.0 CA B:CYS185 5.0 10.1 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