Structure of PDB 7ft4 Chain A Binding Site BS01

Receptor Information
>7ft4 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 IDO0J
InChIInChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)
InChIKeyVBBNSESFUHRMJU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(cc1)c2csc(N)n2
ACDLabs 12.01Nc2nc(c1ccc(cc1)NC(C)=O)cs2
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccc(cc1)c2csc(n2)N
FormulaC11 H11 N3 O S
NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
ChEMBL
DrugBank
ZINCZINC000000058195
PDB chain7ft4 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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PDB7ft4 SDCBP PanDDA analysis group deposition
Resolution2.17 Å
Binding residue
(original residue number in PDB)		L127 R128 H175
Binding residue
(residue number reindexed from 1)		L20 R21 H68
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ft4, PDBe:7ft4, PDBj:7ft4
PDBsum7ft4
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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