Structure of PDB 7ftc Chain D Binding Site BS01

Receptor Information
>7ftc 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 IDYFR
InChIInChI=1S/C10H9BrO4/c1-10(2)14-8-4-7(12)6(11)3-5(8)9(13)15-10/h3-4,12H,1-2H3
InChIKeyFOZVJTHORLMHQD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(Oc2cc(c(cc2C(=O)O1)Br)O)C
ACDLabs 12.01Brc1cc2C(=O)OC(C)(C)Oc2cc1O
CACTVS 3.385CC1(C)OC(=O)c2cc(Br)c(O)cc2O1
FormulaC10 H9 Br O4
Name6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one
ChEMBL
DrugBank
ZINCZINC000032099188
PDB chain7ftc 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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PDB7ftc SDCBP PanDDA analysis group deposition
Resolution1.87 Å
Binding residue
(original residue number in PDB)		Q253 D256 H293
Binding residue
(residue number reindexed from 1)		Q146 D149 H186
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ftc, PDBe:7ftc, PDBj:7ftc
PDBsum7ftc
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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