Structure of PDB 6y1n Chain L Binding Site BS01

Receptor Information
>6y1n Chain L (length=215) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLTQPPSASGTPGQRVTISCSGSSSNIGSNYVDWYQQLPGTAPKLLIYR
NNQRPSGVPDRFSGSKSGTSASLAISGLRSEDEADYYCAAWDDSLGTVFG
GGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWK
VDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQ
GLSSPVTKSFNRGEC
Ligand information
Ligand IDXOP
InChIInChI=1S/C14H20NO3P/c1-15-11-7-8-12(15)10-13(9-11)18-19(16,17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,16,17)/t11-,12+,13+
InChIKeyDUXLOXDDMDLSLH-ITGUQSILSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1CN1C2CCC1CC(C2)OP(=O)(c3ccccc3)O
ACDLabs 12.01OP(OC2CC1N(C)C(CC1)C2)c3ccccc3
CACTVS 3.352CN1[CH]2CC[CH]1CC(C2)O[P](O)(=O)c3ccccc3
CACTVS 3.352CN1[C@@H]2CC[C@H]1CC(C2)O[P](O)(=O)c3ccccc3
OpenEye OEToolkits 1.6.1CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O
FormulaC14 H20 N O3 P
Name8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE
ChEMBL
DrugBank
ZINCZINC000263620378
PDB chain6y1n Chain L 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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PDB6y1n Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y33 W92
Binding residue
(residue number reindexed from 1)		Y32 W91
Annotation score1
External links