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Chlorine in PDB 3tz0: Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex

Enzymatic activity of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex

All present enzymatic activity of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex:
2.7.11.4;

Protein crystallography data

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex, PDB code: 3tz0 was solved by S.C.Tso, J.L.Chuang, W.J.Gui, R.M.Wynn, J.Li, D.T.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.20 / 2.50
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 128.801, 128.801, 72.914, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 24

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex (pdb code 3tz0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex, PDB code: 3tz0:

Chlorine binding site 1 out of 1 in 3tz0

Go back to Chlorine Binding Sites List in 3tz0
Chlorine binding site 1 out of 1 in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl389

b:76.3
occ:0.87
 CL A:03H389 0.0 76.3 0.9
C2 A:03H389 1.8 57.3 0.9
C1 A:03H389 2.7 64.8 0.9
C3 A:03H389 2.8 59.9 0.9
O2 A:03H389 3.0 68.6 0.9
C4 A:03H389 3.4 66.5 0.9
CG2 A:ILE170 3.4 52.3 1.0
CD1 A:ILE170 3.7 47.5 1.0
CB A:ILE170 3.7 63.2 1.0
O1 A:03H389 3.8 65.7 0.9
CE2 A:TYR99 3.9 67.9 1.0
CD1 A:ILE72 4.0 56.7 1.0
CA A:ARG167 4.0 41.9 1.0
OH A:TYR99 4.1 73.7 1.0
CG A:ARG167 4.1 46.2 1.0
O A:ARG167 4.2 58.7 1.0
CG1 A:ILE170 4.3 61.2 1.0
C6 A:03H389 4.3 62.7 0.9
CB A:ARG167 4.3 42.6 1.0
CZ A:TYR99 4.5 70.7 1.0
C5 A:03H389 4.5 73.2 0.9
C A:ARG167 4.6 51.8 1.0
CG A:ARG171 4.8 57.9 1.0
ND1 A:HIS132 4.8 60.0 1.0
CD A:ARG167 4.9 47.7 1.0
N A:ARG167 5.0 42.9 1.0
CD2 A:TYR99 5.0 65.4 1.0

Reference:

S.C.Tso, X.Qi, W.J.Gui, J.L.Chuang, L.K.Morlock, A.L.Wallace, K.Ahmed, S.Laxman, P.M.Campeau, B.H.Lee, S.M.Hutson, B.P.Tu, N.S.Williams, U.K.Tambar, R.M.Wynn, D.T.Chuang. Structure-Based Design and Mechanisms of Allosteric Inhibitors For Mitochondrial Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase. Proc.Natl.Acad.Sci.Usa V. 110 9728 2013.
ISSN: ESSN 1091-6490
PubMed: 23716694
DOI: 10.1073/PNAS.1303220110
Page generated: Sun Jul 21 05:44:15 2024

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