Chlorine in PDB 1wci: 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: 1wci 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 / 1.84
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	145.044, 145.044, 69.510, 90.00, 90.00, 120.00
R / Rfree (%)	14.8 / 18.8

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 1wci). 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: 1wci:
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:Cl504 b:67.4 occ:1.00 ND1 A:HIS392 3.6 21.9 1.0 CG A:HIS392 4.3 21.7 1.0 CE1 A:HIS392 4.4 22.2 1.0 CB A:HIS392 4.4 20.7 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:Cl1343 b:33.7 occ:1.00 CZ B:PHE54 3.7 13.2 1.0 CE1 B:PHE54 3.9 13.7 1.0 CG1 B:VAL139 3.9 12.8 1.0 CE2 B:PHE99 3.9 13.3 1.0 CD B:LYS191 4.0 11.0 1.0 CG2 B:VAL139 4.1 16.4 1.0 CZ B:PHE99 4.3 13.6 1.0 CB B:VAL139 4.5 14.6 1.0 O B:HOH2020 4.7 35.3 1.0 O B:HOH2073 4.7 49.4 1.0 CB B:HIS146 4.9 10.1 0.5 NE2 B:HIS141 5.0 27.8 1.0 CB B:HIS146 5.0 10.1 0.5 CG B:LYS191 5.0 8.9 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