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 N~6~-sulfo-L-lysine Ligand Info
Canonical SMILES C(CCNS(=O)(=O)O)CC(C(=O)O)N
InChI 1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1
InChIKey DROHJWVHGIXSPP-YFKPBYRVSA-N
PubChem Compound ID 137348221
Drug Binding Sites of Target  Top
PDB ID: 4YDM      High resolution crystal structure of human transthyretin bound to ligand and conjugates of 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
Method X-ray diffraction Resolution 1.25 Å Mutation No [1]
PDB Sequence
CPLMVVLDAV
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)
MET13
3.934
VAL14
1.503
VAL16
1.330
LEU17
3.755
PRO24
4.228
SER52
2.565
Residue
Distance (Å)
GLY53
3.258
GLU54
3.102
THR106
4.864
ILE107
2.880
ALA108
3.198
ALA109
2.917
PDB ID: 4YDN      High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
Method X-ray diffraction Resolution 1.35 Å Mutation No [1]
PDB Sequence
CPLMVVLDAV
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)
MET13
3.820
VAL14
1.336
VAL16
1.390
LEU17
3.900
SER52
2.949
GLY53
3.250
Residue
Distance (Å)
GLU54
3.513
THR106
4.844
ILE107
2.943
ALA108
3.231
ALA109
2.967
References  Top
REF 1 A fluorogenic aryl fluorosulfate for intraorganellar transthyretin imaging in living cells and in Caenorhabditis elegans. J Am Chem Soc. 2015 Jun 17;137(23):7404-14.

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