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Chlorine in PDB 3tz4: Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex with Adp

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

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

Protein crystallography data

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex with Adp, PDB code: 3tz4 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) 45.13 / 2.25
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 127.953, 127.953, 73.399, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 21.3

Other elements in 3tz4:

The structure of Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex with Adp 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 Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex with Adp (pdb code 3tz4). 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 with Adp, PDB code: 3tz4:

Chlorine binding site 1 out of 1 in 3tz4

Go back to Chlorine Binding Sites List in 3tz4
Chlorine binding site 1 out of 1 in the Crystal Structure of Branched-Chain Alpha-Ketoacid Dehydrogenase Kinase/S-Alpha-Chloroisocaproate Complex with Adp


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 with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl390

b:71.3
occ:0.95
 CL A:03H390 0.0 71.3 0.9
C2 A:03H390 1.8 60.6 0.9
C1 A:03H390 2.7 57.7 0.9
C3 A:03H390 2.8 66.0 0.9
O2 A:03H390 3.0 56.5 0.9
C4 A:03H390 3.4 60.6 0.9
CD1 A:ILE170 3.6 45.7 1.0
CG2 A:ILE170 3.7 50.7 1.0
O1 A:03H390 3.8 52.5 0.9
CB A:ILE170 3.8 52.1 1.0
CE2 A:TYR99 3.8 59.7 1.0
CD1 A:ILE72 3.9 52.0 1.0
OH A:TYR99 3.9 61.1 1.0
CA A:ARG167 4.0 38.6 1.0
CG A:ARG167 4.0 41.2 1.0
CB A:ARG167 4.2 38.9 1.0
CG1 A:ILE170 4.3 50.9 1.0
CZ A:TYR99 4.3 58.4 1.0
C5 A:03H390 4.3 61.9 0.9
O A:ARG167 4.5 46.9 1.0
C6 A:03H390 4.5 51.6 0.9
C A:ARG167 4.8 42.9 1.0
CD A:ARG167 4.9 44.8 1.0
ND1 A:HIS132 4.9 47.0 1.0
CD2 A:TYR99 4.9 57.2 1.0
CG A:ARG171 5.0 44.7 1.0
N A:ARG167 5.0 39.3 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: Fri Jul 11 11:02:23 2025

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