Structure of PDB 6ju0 Chain I Binding Site BS01

Receptor Information
>6ju0 Chain I (length=213) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLEESGGGLVQPGGSMKLSCAASGFIFSDAWMDWVRQSPERGLEWVAE
IRSKANGLAPYYAESVKGRFTISRDDSKSSVYLQMNNLRSEDTGIYYCTS
TLYYFDYWGQGTTLTVSSAKTTPPSVYPLAPNSMVTLGCLVKGYFPEPVT
VTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPA
SSTKVDKKIVPRD
Ligand information
Ligand IDPE3
InChIInChI=1S/C28H58O15/c29-1-3-31-5-7-33-9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-8-6-32-4-2-30/h29-30H,1-28H2
InChIKeyILLKMACMBHTSHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
ACDLabs 10.04O(CCOCCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
FormulaC28 H58 O15
Name3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL;
POLYETHYLENE GLYCOL
ChEMBL
DrugBank
ZINCZINC000058633580
PDB chain6ju0 Chain I 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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PDB6ju0 Structural basis of polyethylene glycol recognition by antibody.
Resolution2.601 Å
Binding residue
(original residue number in PDB)		D31 W33 Y103 Y104
Binding residue
(residue number reindexed from 1)		D31 W33 Y103 Y104
Annotation score1
External links