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Chlorine in PDB 1gjv: Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S

Enzymatic activity of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S

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

Protein crystallography data

The structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S, PDB code: 1gjv was solved by M.Machius, J.L.Chuang, M.R.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) 36.94 / 2.70
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 127.722, 127.722, 74.314, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 26.9

Other elements in 1gjv:

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

Magnesium (Mg) 1 atom
Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S (pdb code 1gjv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S, PDB code: 1gjv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 1gjv

Go back to Chlorine Binding Sites List in 1gjv
Chlorine binding site 1 out of 5 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S


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 Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:89.7
occ:1.00
 CD1 A:ILE100 4.4 42.4 1.0
CE1 A:HIS96 4.7 40.0 1.0
O A:HOH2007 4.7 46.4 1.0
NE2 A:HIS96 4.7 41.2 1.0
CD2 A:LEU93 4.7 45.5 1.0
ND1 A:HIS96 4.9 41.2 1.0

Chlorine binding site 2 out of 5 in 1gjv

Go back to Chlorine Binding Sites List in 1gjv
Chlorine binding site 2 out of 5 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S


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 Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:0.8
occ:1.00
 O A:HOH2035 4.0 48.7 1.0
O A:GLY226 4.0 37.6 1.0
C A:GLY226 4.1 39.0 1.0
CA A:GLY226 4.3 37.9 1.0
CD2 A:HIS227 4.6 35.5 1.0
N A:HIS227 4.8 40.1 1.0
N A:GLY226 4.9 36.4 1.0
NE2 A:HIS227 5.0 38.4 1.0

Chlorine binding site 3 out of 5 in 1gjv

Go back to Chlorine Binding Sites List in 1gjv
Chlorine binding site 3 out of 5 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S


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 Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:96.8
occ:1.00
 CA A:CYS212 3.8 60.2 1.0
O A:LEU211 4.1 62.2 1.0
N A:CYS212 4.1 61.6 1.0
C A:LEU211 4.2 61.2 1.0
CB A:CYS212 4.2 58.5 1.0
CE1 A:TYR216 4.5 51.3 1.0
CB A:LEU211 4.8 60.6 1.0
SG A:CYS212 4.8 56.7 1.0
CB A:ARG252 4.8 48.2 1.0
O A:LYS248 4.9 44.6 1.0

Chlorine binding site 4 out of 5 in 1gjv

Go back to Chlorine Binding Sites List in 1gjv
Chlorine binding site 4 out of 5 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S


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) Complxed with Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1381

b:72.4
occ:1.00
 CD A:ARG71 3.4 66.3 1.0
CG A:ARG71 3.5 63.1 1.0
CB A:ARG71 3.5 61.6 1.0
CA A:ARG71 4.0 59.2 1.0
OG A:SER166 4.0 66.0 1.0
CB A:SER166 4.0 60.0 1.0
CD2 A:HIS74 4.0 70.3 1.0
O A:HOH2004 4.3 61.0 1.0
NE A:ARG71 4.3 67.3 1.0
O A:ARG71 4.5 57.1 1.0
C A:ARG71 4.7 57.4 1.0
CG A:HIS74 4.8 68.0 1.0
CA A:SER166 4.8 57.3 1.0
NH1 A:ARG71 4.8 63.5 1.0
CB A:HIS74 4.8 62.4 1.0
CZ A:ARG71 4.9 66.2 1.0

Chlorine binding site 5 out of 5 in 1gjv

Go back to Chlorine Binding Sites List in 1gjv
Chlorine binding site 5 out of 5 in the Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase (Bck) Complxed with Atp-Gamma-S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1382

b:0.7
occ:1.00
 O A:PHE109 3.6 56.3 1.0
CA A:PRO110 3.7 58.9 1.0
O A:THR107 3.8 54.9 1.0
C A:PHE109 4.0 56.0 1.0
N A:PRO110 4.0 57.4 1.0
CD A:PRO111 4.1 61.7 1.0
O A:ASP108 4.5 57.3 1.0
C A:ASP108 4.5 57.3 1.0
C A:PRO110 4.6 60.0 1.0
CB A:PRO110 4.7 58.4 1.0
N A:PRO111 4.8 61.2 1.0
N A:PHE109 4.8 56.2 1.0
CA A:ASP108 4.9 57.6 1.0
C A:THR107 5.0 56.2 1.0

Reference:

M.Machius, J.L.Chuang, M.R.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
Page generated: Fri Jul 19 22:11:51 2024

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