Target Binding Site Detail

Content Navigation (  All   None )                                      
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 Lumiracoxib Ligand Info
Canonical SMILES CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)O
InChI 1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKey KHPKQFYUPIUARC-UHFFFAOYSA-N
PubChem Compound ID 151166
Drug Binding Sites of Target  Top
PDB ID: 4IK6      Crystal structure of human transthyretin in complex with lumiracoxib
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
2.716
LEU17
3.654
GLU54
4.521
THR106
4.422
Residue
Distance (Å)
ALA108
3.653
LEU110
4.525
THR119
4.680
VAL121
3.112
PDB ID: 4IIZ      Crystal structure of wild-type human transthyretin in complex with lumiracoxib
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)
LYS15
2.879
LEU17
3.775
GLU54
4.804
ALA108
3.168
Residue
Distance (Å)
LEU110
4.543
THR119
4.384
VAL121
4.204
References  Top
REF 1 Crystal structure of human transthyretin in complex with lumiracoxib
REF 2 Crystal structure of wild-type human transthyretin in complex with lumiracoxib

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.