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BioLiP

Structure of PDB 7ft3 Chain A Binding Site BS02

Receptor Information
>7ft3 Chain A (length=191) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFGDQ
VLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDSTG
HVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIADI
LSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV
Ligand information
Ligand IDLV4
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)
InChIKeyHYKOSRYWIURWQI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=S)Nc1ccccc1OC(F)(F)F
OpenEye OEToolkits 2.0.6c1ccc(c(c1)NC(=S)N)OC(F)(F)F
FormulaC8 H7 F3 N2 O S
Name1-[2-(trifluoromethyloxy)phenyl]thiourea
ChEMBL
DrugBank
ZINCZINC000000102765
PDB chain7ft3 Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ft3 SDCBP PanDDA analysis group deposition
Resolution2.05 Å
Binding residue
(original residue number in PDB)		N134 A167
Binding residue
(residue number reindexed from 1)		N27 A60
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ft3, PDBe:7ft3, PDBj:7ft3
PDBsum7ft3
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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