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 Trifluoperazine Ligand Info
Canonical SMILES CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI 1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey ZEWQUBUPAILYHI-UHFFFAOYSA-N
PubChem Compound ID 5566
Drug Binding Sites of Target  Top
PDB ID: 1WRK      Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine (orthrombic crystal form)
Method X-ray diffraction Resolution 2.15 Å Mutation Yes [1]
PDB Sequence
IYKAAVEQLT
13
EEQKNEFKAA
23
FDIFVLGAED
33
GSISTKELGK
43
VMRMLGQNPT
53

PEELQEMIDE
63
VDEDGSGTVD
73
FDEFLVMMVR
83
SM
Residue
Distance (Å)
LEU12
4.873
GLN16
4.852
PHE20
3.328
ALA23
4.705
PHE27
3.254
LEU41
4.398
VAL44
3.987
MET45
3.655
LEU48
3.302
Residue
Distance (Å)
GLN50
3.200
GLU56
3.758
MET60
3.758
PHE77
3.956
MET80
3.148
MET81
2.846
VAL82
3.981
SER84
2.991
MET85
3.752
PDB ID: 1WRL      Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine (monoclinic crystal form)
Method X-ray diffraction Resolution 2.60 Å Mutation Yes [2]
PDB Sequence
IYKAAVEQLT
13
EEQKNEFKAA
23
FDIFVLGAED
33
GSISTKELGK
43
VMRMLGQNPT
53

PEELQEMIDE
63
VDEDGSGTVD
73
FDEFLVMMVR
83
SM
Residue
Distance (Å)
LEU12
4.252
PHE20
4.012
ALA23
4.438
PHE27
3.108
VAL44
4.643
MET45
3.624
LEU48
3.577
GLN50
3.182
Residue
Distance (Å)
PRO52
4.281
GLU56
3.090
MET60
3.480
PHE77
3.668
MET80
3.362
MET81
3.068
VAL82
3.782
SER84
3.082
References  Top
REF 1 Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine
REF 2 Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine

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