Structure of PDB 1riv Chain L Binding Site BS01

Receptor Information
>1riv Chain L (length=218) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIVMTQAAPSVPVTPGESVSISCRSSKSLLHSNGYTYLHWFLQRPGQSPQ
LLIYRVSNLASGVPDRFSGSGSGTAFTLRFSRVEAEDVGVYYCMQHLEYP
FTFGSGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPQDIT
VSWKIDGAERSSGVLNSWTDQDSSDSTYSMSSTLTLTKDEYERHSSYTCE
ATHKTSTSPITKSFNRGE
Ligand information
Ligand IDOBE
InChIInChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1
InChIKeyXCJJCRPRQYXLRE-AHLTXXRQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)[O-]
CACTVS 3.341C[NH+]1[CH]2CC[CH]1[CH]([CH](C2)OC(=O)c3cccc(O)c3)C([O-])=O
OpenEye OEToolkits 1.5.0C[NH+]1C2CCC1C(C(C2)OC(=O)c3cccc(c3)O)C(=O)[O-]
ACDLabs 10.04[O-]C(=O)C3C1[NH+](C)C(CC1)CC3OC(=O)c2cccc(O)c2
CACTVS 3.341C[NH+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(O)c3)C([O-])=O
FormulaC16 H19 N O5
Name3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID;
META-OXYBENZOYLECGONINE
ChEMBL
DrugBank
ZINCZINC000006481301
PDB chain1riv Chain H Residue 201 [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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PDB1riv Carving a Binding Site: Structural Study of an Anti-Cocaine Antibody in Complex with Three Cocaine Analogs
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y32 H91 F96
Binding residue
(residue number reindexed from 1)		Y37 H96 F101
Annotation score1
External links