Structure of PDB 5s8i Chain A Binding Site BS01

Receptor Information
>5s8i Chain A (length=119) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFAT
VRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFFE
EHISSVLSDYKSALRFHKR
Ligand information
Ligand ID2LY
InChIInChI=1S/C8H9NO3S/c1-9-8(10)7-6-5(4-13-7)11-2-3-12-6/h4H,2-3H2,1H3,(H,9,10)
InChIKeyMXUQWUJJYQPEJH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CNC(=O)c1c2c(cs1)OCCO2
ACDLabs 12.01O=C(c1scc2OCCOc12)NC
CACTVS 3.385CNC(=O)c1scc2OCCOc12
FormulaC8 H9 N O3 S
NameN-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
ChEMBLCHEMBL3110245
DrugBank
ZINCZINC000013466601
PDB chain5s8i Chain A Residue 1501 [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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PDB5s8i XChem group deposition
Resolution1.3 Å
Binding residue
(original residue number in PDB)		Y1350 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)		Y35 S77 Y80 T81 I88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5s8i, PDBe:5s8i, PDBj:5s8i
PDBsum5s8i
PubMed
UniProtQ8WWQ0|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)

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