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 Cysteinesulfonic Acid Ligand Info
Canonical SMILES C(C(C(=O)O)N)S(=O)(=O)O
InChI 1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey XVOYSCVBGLVSOL-REOHCLBHSA-N
PubChem Compound ID 72886
Drug Binding Sites of Target  Top
PDB ID: 5TZL      Structure of transthyretin in complex with the kinetic stabilizer 201
Method X-ray diffraction Resolution 1.40 Å Mutation No [1]
PDB Sequence
PLMVKVLDAV
20
RGSPAINVAV
30
HVFRKAADDT
40
WEPFASGKTS
50
ESGELHGLTT
60

EEEFVEGIYK
70
VEIDTKSYWK
80
ALGISPFHEH
90
AEVVFTANDS
100
GPRRYTIAAL
110

LSPYSYSTTA
120
VVTNP
Residue
Distance (Å)
PRO11
1.333
LEU12
2.840
MET13
3.150
LEU55
4.931
HIS56
2.971
Residue
Distance (Å)
GLY57
3.054
LEU58
4.077
THR59
3.755
ARG104
3.701
PDB ID: 6E72      Structure of Human Transthyretin Val30Met Mutant in Complex with Tafamidis
Method X-ray diffraction Resolution 1.45 Å Mutation No [2]
PDB Sequence
PLMVKVLDAV
20
RGSPAINVAM
30
HVFRKAADDT
40
WEPFASGKTS
50
ESGELHGLTT
60

EEEFVEGIYK
70
VEIDTKSYWK
80
ALGISPFHEH
90
AEVVFTANDS
100
GPRRYTIAAL
110

LSPYSYSTTA
120
VVTN
Residue
Distance (Å)
PRO11
1.308
LEU12
2.838
MET13
3.825
LEU55
4.967
HIS56
2.796
Residue
Distance (Å)
GLY57
3.142
LEU58
4.517
THR59
4.187
ARG104
3.236
PDB ID: 6E78      Structure of Human Transthyretin Asp38Ala Mutant in Complex with Diflunisal
Method X-ray diffraction Resolution 1.50 Å Mutation Yes [3]
PDB Sequence
PLMVKVLDAV
20
RGSPAINVAV
30
HVFRKAAADT
40
WEPFASGKTS
50
ESGELHGLTT
60

EEEFVEGIYK
70
VEIDTKSYWK
80
ALGISPFHEH
90
AEVVFTANDS
100
GPRRYTIAAL
110

LSPYSYSTTA
120
VVTN
Residue
Distance (Å)
PRO11
1.306
LEU12
2.873
MET13
4.005
HIS56
2.896
Residue
Distance (Å)
GLY57
2.477
LEU58
4.049
THR59
4.597
ARG104
2.618
References  Top
REF 1 Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors. Bioorg Med Chem Lett. 2017 Aug 1;27(15):3441-3449.
REF 2 Structural Variants of Transthyretin
REF 3 Structural Variants of Transthyretin

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