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 Rhenium Ligand Info
Canonical SMILES [Re]
InChI 1S/Re
InChIKey WUAPFZMCVAUBPE-UHFFFAOYSA-N
PubChem Compound ID 23947
Drug Binding Sites of Target  Top
PDB ID: 5K1N      Human TTR altered by a rhenium tris-carbonyl Pyta-C12 derivative
Method X-ray diffraction Resolution 1.81 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
AVVTN
Residue
Distance (Å)
HIS88
3.787
GLU89
3.042
Residue
Distance (Å)
HIS90
2.792
ALA91
4.954
PDB ID: 5K1J      Human TTR altered by a rhenium tris-carbonyl Pyta-C8 derivative
Method X-ray diffraction Resolution 1.69 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)
PHE95
4.349
Residue
Distance (Å)
THR96
3.147
References  Top
REF 1 Human TTR conformation altered by rhenium tris-carbonyl derivatives. J Struct Biol. 2016 Sep;195(3):353-364.

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