Structure of PDB 7fsh Chain D Binding Site BS01

Receptor Information
>7fsh Chain D (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 IDUXA
InChIInChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)
InChIKeyOUGQMSXIPFSZBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)NC3CC3)OCO2
ACDLabs 12.01c1(cc2c(cc1)OCO2)C(NC3CC3)=O
CACTVS 3.385O=C(NC1CC1)c2ccc3OCOc3c2
FormulaC11 H11 N O3
Name~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
ChEMBL
DrugBank
ZINCZINC000002737565
PDB chain7fsh Chain D Residue 301 [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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PDB7fsh SDCBP PanDDA analysis group deposition
Resolution2.11 Å
Binding residue
(original residue number in PDB)		Q244 L249 Q253 D256 I257
Binding residue
(residue number reindexed from 1)		Q137 L142 Q146 D149 I150
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fsh, PDBe:7fsh, PDBj:7fsh
PDBsum7fsh
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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