Structure of PDB 7ft4 Chain B Binding Site BS01

Receptor Information
>7ft4 Chain B (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 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)		C118 K119 F182 G183 E184
Binding residue
(residue number reindexed from 1)		C13 K14 F77 G78 E79
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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