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Structure of PDB 7u63 Chain H Binding Site BS01

Receptor Information
>7u63 Chain H (length=201) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQLQQSGAELARPGASVKLSCKASGYTSTDYYINWVKQRTGQGLEWIGEI
YPGSGNTYYNEKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCTRGGV
YYGYDDAWFVYWGQGTLVTVSAAKTTAPSVYPLATLGCLVKGYFPEPVTL
TWNSGSLSSGVHTFPAVLQSDLYTLSSSVTITCNVAHPASSTKVDKKIEP
R
Ligand information
Ligand IDOOX
InChIInChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
InChIKeyBRUQQQPBMZOVGD-XFKAJCMBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)OC
OpenEye OEToolkits 2.0.7CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC
CACTVS 3.385COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
ACDLabs 12.01O=C1CCC2(O)C3Cc4ccc(OC)c5OC1C2(CCN3C)c54
CACTVS 3.385COc1ccc2C[CH]3N(C)CC[C]45[CH](Oc1c24)C(=O)CC[C]35O
FormulaC18 H21 N O4
Name14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one;
Oxycodone
ChEMBLCHEMBL656
DrugBankDB00497
ZINCZINC000000403533
PDB chain7u63 Chain H 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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PDB7u63 Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y33 E50 Y52 Y58 Y100A W100E
Binding residue
(residue number reindexed from 1)		Y32 E49 Y51 Y58 Y104 W108
Annotation score1
External links

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