Chlorine in PDB 2bew: 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: 2bew 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 / 1.79
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	144.560, 144.560, 69.492, 90.00, 90.00, 120.00
R / Rfree (%)	14.6 / 17

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

Potassium	(K)	2 atoms
Manganese	(Mn)	1 atom

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

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1404 b:63.5 occ:1.00 ND1 A:HIS392 4.0 21.6 1.0 CB A:HIS392 4.6 25.8 1.0 CG A:HIS392 4.6 23.5 1.0 CE1 A:HIS392 4.8 24.1 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1344 b:31.9 occ:1.00 O B:HOH2129 3.4 41.6 1.0 CZ B:PHE54 3.7 17.8 1.0 CE2 B:PHE99 3.8 20.5 1.0 CG1 B:VAL139 3.9 20.4 1.0 CE1 B:PHE54 3.9 17.0 1.0 CD B:LYS191 4.0 13.5 1.0 CG2 B:VAL139 4.1 23.8 1.0 CZ B:PHE99 4.1 17.7 1.0 CB B:VAL139 4.5 20.5 1.0 ND1 B:HIS146 4.6 25.5 0.5 O B:HOH2162 4.9 49.1 1.0 CB B:HIS146 5.0 18.3 0.5 CG B:LYS191 5.0 15.9 1.0 CE2 B:PHE54 5.0 17.4 1.0 CB B:HIS146 5.0 16.2 0.5

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