Chlorine in PDB 1gkx: Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck)

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

The structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck), PDB code: 1gkx 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)	48.52 / 2.30
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	129.370, 129.370, 73.350, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 27.3

The binding sites of Chlorine atom in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) (pdb code 1gkx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck), PDB code: 1gkx:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck)


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.2 occ:1.00 O A:LEU211 4.4 71.6 1.0 CA A:CYS212 4.5 72.7 1.0 C A:LEU211 4.6 72.1 1.0 N A:CYS212 4.6 72.5 1.0 CE1 A:TYR216 4.7 58.8 1.0 CB A:LEU211 4.7 71.3 1.0 CG A:LYS215 4.8 78.6 1.0 O A:LYS248 4.9 52.0 1.0 CB A:LYS215 4.9 78.1 1.0 CB A:LYS248 5.0 56.5 1.0 CB A:CYS212 5.0 73.2 1.0

Chlorine binding site 2 out of 4 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck)


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:0.4 occ:1.00 CD2 A:HIS227 4.2 48.5 1.0 NE2 A:HIS227 4.6 52.1 1.0 O A:GLY226 4.6 50.8 1.0 C A:GLY226 4.8 50.3 1.0 O A:HOH2042 4.9 47.9 1.0

Chlorine binding site 3 out of 4 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck)


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:0.8 occ:1.00 OG A:SER146 3.7 91.9 1.0 ND2 A:ASN89 3.7 66.2 1.0 CB A:ASN89 4.0 63.6 1.0 CD2 A:HIS149 4.2 91.9 1.0 CA A:ASN89 4.2 62.3 1.0 NE2 A:HIS149 4.2 92.6 1.0 CG A:ASN89 4.4 64.4 1.0 O A:GLU145 4.4 90.7 1.0 O A:ILE85 4.6 55.7 1.0 CA A:SER146 4.6 92.3 1.0 CB A:SER146 4.6 91.8 1.0 N A:ASN89 4.7 61.6 1.0 C A:GLU145 4.8 89.9 1.0 N A:SER146 4.9 91.0 1.0

Chlorine binding site 4 out of 4 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:90.3 occ:1.00 CB A:ARG171 3.3 63.6 1.0 CD A:ARG171 3.4 75.2 1.0 CG A:ARG171 3.7 69.7 1.0 CD2 A:LEU129 3.7 56.5 1.0 O A:ARG167 3.8 60.6 1.0 NH1 A:ARG167 3.9 65.8 1.0 CZ A:ARG167 4.1 64.3 1.0 CA A:ARG171 4.2 59.9 1.0 CG A:ARG167 4.2 55.9 1.0 NE A:ARG171 4.2 81.7 1.0 NH1 A:ARG171 4.3 88.3 1.0 NH2 A:ARG167 4.4 66.2 1.0 N A:ARG171 4.6 57.8 1.0 CZ A:ARG171 4.6 87.0 1.0 NE A:ARG167 4.7 63.9 1.0 C A:ARG167 4.8 58.2 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