Structure of PDB 7fsl Chain A Binding Site BS01

Receptor Information
>7fsl 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 IDNUM
InChIInChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)
InChIKeyYXENGKAXLJYJOP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N(C(c1ccccn1)=O)CCc2ccc(cc2)O
CACTVS 3.385Oc1ccc(CCNC(=O)c2ccccn2)cc1
OpenEye OEToolkits 2.0.6c1ccnc(c1)C(=O)NCCc2ccc(cc2)O
FormulaC14 H14 N2 O2
NameN-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000001016488
PDB chain7fsl Chain A 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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PDB7fsl SDCBP PanDDA analysis group deposition
Resolution2.38 Å
Binding residue
(original residue number in PDB)		D172 K176
Binding residue
(residue number reindexed from 1)		D65 K69
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fsl, PDBe:7fsl, PDBj:7fsl
PDBsum7fsl
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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