Structure of PDB 5u35 Chain B Binding Site BS01

Receptor Information
>5u35 Chain B (length=121) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMTEEEVRKIMEKLKKAFKQGNPEQIVSLLSPDVKVDVGNQSFSGSEE
AEKAARKLMKFVDRVEVRDVRVFENAVMIAVEFEVNGQRYKMIFTFYVEN
GKVSMVSIYISPTMKKLMKQI
Ligand information
Ligand IDMXE
InChIInChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKeyXNWFRZJHXBZDAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCO
ACDLabs 10.04OCCOC
FormulaC3 H8 O2
Name2-METHOXYETHANOL
ChEMBLCHEMBL444144
DrugBankDB02806
ZINCZINC000001591817
PDB chain5u35 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5u35 Principles for designing proteins with cavities formed by curved beta sheets.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F17 K18 V62 E63 V64
Binding residue
(residue number reindexed from 1)		F20 K21 V65 E66 V67
Annotation score1
External links