Structure of PDB 7ft5 Chain A Binding Site BS01

Receptor Information
>7ft5 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 IDYEF
InChIInChI=1S/C13H16O4/c1-16-11-4-2-10(3-5-11)13(12(14)15)6-8-17-9-7-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyHUAOQQIUUYXNFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C2(CCOCC2)C(=O)O
ACDLabs 12.01OC(=O)C1(CCOCC1)c1ccc(OC)cc1
CACTVS 3.385COc1ccc(cc1)C2(CCOCC2)C(O)=O
FormulaC13 H16 O4
Name4-(4-methoxyphenyl)oxane-4-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000000608899
PDB chain7ft5 Chain A Residue 401 [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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PDB7ft5 SDCBP PanDDA analysis group deposition
Resolution1.77 Å
Binding residue
(original residue number in PDB)		S226 R229 N230
Binding residue
(residue number reindexed from 1)		S119 R122 N123
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ft5, PDBe:7ft5, PDBj:7ft5
PDBsum7ft5
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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