Structure of PDB 4abq Chain B Binding Site BS01

Receptor Information
>4abq Chain B (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand ID4V2
InChIInChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
InChIKeyCNOGHDSTUCQSOV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)O)c2nnc(o2)S
ACDLabs 12.01Sc1nnc(o1)c2cc(O)ccc2
CACTVS 3.385Oc1cccc(c1)c2oc(S)nn2
FormulaC8 H6 N2 O2 S
Name3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL
ChEMBLCHEMBL595356
DrugBank
ZINCZINC000001605604
PDB chain4abq Chain B Residue 1125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4abq Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		A108 T119
Binding residue
(residue number reindexed from 1)		A99 T110
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005179 hormone activity
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0070324 thyroid hormone binding
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0007165 signal transduction
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0035578 azurophil granule lumen
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4abq, PDBe:4abq, PDBj:4abq
PDBsum4abq
PubMed22973437
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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