Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T12966 Target Info
Target Name Troponin C (TN-C)
Synonyms Troponin C, slow skeletal and cardiac muscles; TNNC
Target Type Successful Target
Gene Name TNNC1
UniProt ID
TNNC1_HUMAN
Ligand General Information  Top
Ligand Name N-(6-Aminohexyl)-5-chloro-1-naphthalenesulfonamide Ligand Info
Canonical SMILES C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCCN
InChI 1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
InChIKey IDEHCMNLNCJQST-UHFFFAOYSA-N
PubChem Compound ID 5681
Drug Binding Sites of Target  Top
PDB ID: 2KFX      Structure of the N-terminal domain of human cardiac troponin C bound to calcium ion and to the inhibitor W7
Method Solution NMR Resolution N.A. Mutation Yes [1]
PDB Sequence
MDDIYKAAVE
10
QLTEEQKNEF
20
KAAFDIFVLG
30
AEDGSISTKE
40
LGKVMRMLGQ
50

NPTPEELQEM
60
IDEVDEDGSG
70
TVDFDEFLVM
80
MVRSMKDDS
Residue
Distance (Å)
PHE20
2.583
ALA23
2.449
PHE24
2.969
PHE27
2.566
ILE36
2.110
LEU41
2.317
VAL44
4.623
MET45
2.432
Residue
Distance (Å)
MET60
1.818
ILE61
4.214
VAL72
2.768
PHE77
2.600
MET80
2.371
MET81
1.891
SER84
4.952
PDB ID: 2KRD      Solution Structure of the Regulatory Domain of Human Cardiac Troponin C in Complex with the Switch Region of cardiac Troponin I and W7
Method Solution NMR Resolution N.A. Mutation No [2]
PDB Sequence
MDDIYKAAVE
10
QLTEEQKNEF
20
KAAFDIFVLG
30
AEDGCISTKE
40
LGKVMRMLGQ
50

NPTPEELQEM
60
IDEVDEDGSG
70
TVDFDEFLVM
80
MVRCMKDDS
Residue
Distance (Å)
PHE24
4.655
ILE36
3.424
LEU41
2.885
VAL44
2.920
MET45
4.600
MET47
2.930
LEU48
2.485
Residue
Distance (Å)
MET60
2.005
ILE61
3.136
VAL64
2.666
VAL72
2.792
PHE77
2.391
MET81
2.865
References  Top
REF 1 Structure of the inhibitor W7 bound to the regulatory domain of cardiac troponin C. Biochemistry. 2009 Jun 23;48(24):5541-52.
REF 2 Solution structure of the regulatory domain of human cardiac troponin C in complex with the switch region of cardiac troponin I and W7: the basis of W7 as an inhibitor of cardiac muscle contraction. J Mol Cell Cardiol. 2010 May;48(5):925-33.

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