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 T86462 Target Info
Target Name Transthyretin (TTR)
Synonyms TBPA; Prealbumin; PALB; ATTR
Target Type Successful Target
Gene Name TTR
UniProt ID
TTHY_HUMAN
Ligand General Information  Top
Ligand Name Indomethacin Ligand Info
Canonical SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
InChI 1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey CGIGDMFJXJATDK-UHFFFAOYSA-N
PubChem Compound ID 3715
Drug Binding Sites of Target  Top
PDB ID: 4IKI      Crystal structure of wild-type human transthyretin in complex with indomethacin
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
CPLMVKVLDA
19
VRGSPAINVA
29
VHVFRKAADD
39
TWEPFASGKT
49
SESGELHGLT
59

TEEEFVEGIY
69
KVEIDTKSYW
79
KALGISPFHE
89
HAEVVFTAND
99
SGPRRYTIAA
109

LLSPYSYSTT
119
AVVTNP
Residue
Distance (Å)
LYS15
3.345
LEU17
3.165
GLU54
4.840
Residue
Distance (Å)
ALA108
3.536
LEU110
4.280
VAL121
4.638
PDB ID: 4IK7      Crystal structure of human transthyretin in complex with indomethacin
Method X-ray diffraction Resolution 2.10 Å Mutation No [2]
PDB Sequence
CPLMVKVLDA
19
VRGSPAINVA
29
VHVFRKAADD
39
TWEPFASGKT
49
SESGELHGLT
59

TEEEFVEGIY
69
KVEIDTKSYW
79
KALGISPFHE
89
HAEVVFTAND
99
SGPRRYTIAA
109

LLSPYSYSTT
119
AVVTNP
Residue
Distance (Å)
MET13
3.515
LYS15
2.945
LEU17
3.417
GLU54
4.016
THR106
3.729
Residue
Distance (Å)
ALA108
3.045
LEU110
4.092
SER117
4.648
THR119
3.500
VAL121
3.160
References  Top
REF 1 Crystal structure of wild-type human transthyretin in complex with indomethacin
REF 2 Crystal structure of human transthyretin in complex with indomethacin

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