Structure of PDB 1lo2 Chain H Binding Site BS01

Receptor Information
>1lo2 Chain H (length=220) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLVESGGGLVKPGGSLKLSCAASGFSFRNYGMSWVRQTPEKRLEWVAS
ISYGGLIYYPDSIKGRFTISRDIAQNILYLQMSSLRSEDTAMYHCIRGDS
FLVWFTFWGQGTLVTVSAAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGY
FPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITC
NVAHPASSTQVDKKIEPRGP
Ligand information
Ligand IDOX1
InChIInChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+
InChIKeyIOWYALZFEJOVHO-HDICACEKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O
CACTVS 3.341C[C]12OO[C](CCC(O)=O)(c3ccccc13)c4ccccc24
CACTVS 3.341C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c4ccccc24
ACDLabs 10.04O=C(O)CCC24OOC(c1ccccc12)(c3c4cccc3)C
FormulaC18 H16 O4
Name[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
ChEMBL
DrugBankDB08332
ZINC
PDB chain1lo2 Chain H Residue 501 [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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PDB1lo2 A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I51 S52 Y61 D102 S103 F104 W105
Binding residue
(residue number reindexed from 1)		I51 S52 Y58 D99 S100 F101 W104
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links