Structure of PDB 8r0z Chain A Binding Site BS02

Receptor Information
>8r0z Chain A (length=234) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMGSMERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLS
VAYKNVVGGQRAAWRVLSSIEQKSNESEEKGPEVREYREKVETELQGVCD
TVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSA
RSAYQEAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTT
FDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWT
Ligand information
Ligand IDXJF
InChIInChI=1S/C17H24N2O2/c20-16(19-14-7-2-1-3-8-14)21-13-17-10-5-4-9-15(17)18-12-6-11-17/h1-3,7-8,15,18H,4-6,9-13H2,(H,19,20)/t15-,17+/m1/s1
InChIKeyFPJMUPBEEXJERJ-WBVHZDCISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)OCC23CCCCC2NCCC3
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)OC[C@@]23CCCC[C@H]2NCCC3
CACTVS 3.385O=C(Nc1ccccc1)OC[C]23CCCC[CH]2NCCC3
CACTVS 3.385O=C(Nc1ccccc1)OC[C@@]23CCCC[C@H]2NCCC3
FormulaC17 H24 N2 O2
Name[(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methyl N-phenylcarbamate
ChEMBL
DrugBank
ZINC
PDB chain8r0z Chain A 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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PDB8r0z Fragment-Based Interrogation of the 14-3-3/TAZ Protein-Protein Interaction.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		F198 Y213 K214 T217 Q221
Binding residue
(residue number reindexed from 1)		F201 Y216 K217 T220 Q224
Annotation score1
External links
PDB RCSB:8r0z, PDBe:8r0z, PDBj:8r0z
PDBsum8r0z
PubMed39172504
UniProtP31947|1433S_HUMAN 14-3-3 protein sigma (Gene Name=SFN)

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