Chlorine in PDB 1gkz: Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp

All present enzymatic activity of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp:
2.7.1.115;

The structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp, PDB code: 1gkz was solved by M.Machius, J.L.Chuang, R.M.Wynn, D.R.Tomchick, D.T.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.77 / 2.20
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.917, 128.917, 74.105, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 26.8

The structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom
Xenon	(Xe)	2 atoms

The binding sites of Chlorine atom in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp (pdb code 1gkz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp, PDB code: 1gkz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:93.5 occ:1.00 N A:ILE235 3.3 48.9 1.0 CB A:ILE235 3.6 48.6 1.0 CG1 A:ILE235 3.7 49.3 1.0 O A:ILE235 3.8 52.1 1.0 CZ A:PHE234 3.8 41.2 1.0 CE2 A:PHE234 3.8 44.5 1.0 CE1 A:PHE234 3.9 45.8 1.0 CA A:ILE235 3.9 48.2 1.0 CD2 A:PHE234 3.9 44.2 1.0 CD1 A:PHE234 4.0 41.3 1.0 CG A:PHE234 4.0 45.4 1.0 CD1 A:ILE235 4.1 51.5 1.0 CD1 A:ILE373 4.2 71.8 1.0 C A:ILE235 4.3 49.0 1.0 C A:PHE234 4.3 48.8 1.0 CA A:PHE234 4.5 49.1 1.0 O A:ARG371 4.8 49.2 1.0 CB A:PHE234 4.9 44.9 1.0 CG2 A:ILE235 4.9 45.8 1.0 CG A:PRO238 4.9 48.4 1.0

Chlorine binding site 2 out of 3 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:95.6 occ:1.00 O A:HOH2009 3.1 66.5 1.0 O A:HOH2005 3.1 76.6 1.0 NH2 A:ARG80 4.0 53.7 1.0 CD2 A:PHE103 4.1 50.5 1.0 CD1 A:ILE76 4.3 41.7 1.0 O A:HOH2011 4.5 73.2 1.0 CE2 A:PHE103 4.5 52.2 1.0 CG2 A:ILE76 4.7 41.0 1.0 CG A:PHE103 4.7 49.9 1.0 CG2 A:ILE100 4.8 42.4 1.0

Chlorine binding site 3 out of 3 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:0.5 occ:1.00 CD2 A:LEU93 3.9 53.7 1.0 CD1 A:ILE100 4.2 41.5 1.0 ND1 A:HIS96 4.6 42.8 1.0 CE1 A:HIS96 4.6 43.6 1.0 CG A:GLU97 4.7 62.6 1.0 CG A:HIS96 4.8 43.0 1.0 NE2 A:HIS96 4.8 44.4 1.0 CD2 A:HIS96 4.9 43.2 1.0

M.Machius, J.L.Chuang, R.M.Wynn, D.R.Tomchick, D.T.Chuang. Structure of Rat Bckd Kinase: Nucleotide-Induced Domain Communication in A Mitochondrial Protein Kinase. Proc.Natl.Acad.Sci.Usa V. 98 11218 2001.
ISSN: ISSN 0027-8424
PubMed: 11562470
DOI: 10.1073/PNAS.201220098