Structure of PDB 7ft1 Chain C Binding Site BS01

Receptor Information
>7ft1 Chain C (length=193) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFG
DQVLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDS
TGHVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIA
DILSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV
Ligand information
Ligand IDQ7L
InChIInChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
InChIKeyLOPAFWMOCZGHFX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cc(cc2OCOc12)c1cc[NH]n1
OpenEye OEToolkits 2.0.7c1cc2c(cc1c3cc[nH]n3)OCO2
CACTVS 3.385C1Oc2ccc(cc2O1)c3cc[nH]n3
FormulaC10 H8 N2 O2
Name(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole
ChEMBL
DrugBank
ZINCZINC000001390251
PDB chain7ft1 Chain C 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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PDB7ft1 SDCBP PanDDA analysis group deposition
Resolution2.11 Å
Binding residue
(original residue number in PDB)		I212 F213 A255
Binding residue
(residue number reindexed from 1)		I107 F108 A150
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ft1, PDBe:7ft1, PDBj:7ft1
PDBsum7ft1
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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