Structure of PDB 5xjd Chain A Binding Site BS01

Receptor Information
>5xjd Chain A (length=209) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSIASSKLWMLEFSAFLERQQDPDTYNKHLFVHISQDPYLETVDIRQIYD
KFPEKKGGLKELFERGPSNAFFLVKFWADLNTNIDGSAFYGVSSQYESPE
NMIITCSTKVCSFGKQVVEKVETEYARYENGHYLYRIHRSPLCEYMINFI
HKLKHLPEKYMMNSVLENFTILQVVTNRDTQETLLCIAYVFEVSASEHGA
QHHIYRLVK
Ligand information
Ligand ID87L
InChIInChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)/t11-/m0/s1
InChIKeyFNRJAIIHCKGTCV-NSHDSACASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(C(=O)O)n2cccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)[C@@H](C(=O)O)n2cccc2
CACTVS 3.385OC(=O)[CH](n1cccc1)c2ccccc2
CACTVS 3.385OC(=O)[C@@H](n1cccc1)c2ccccc2
FormulaC12 H11 N O2
Name(2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
ChEMBL
DrugBank
ZINCZINC000000111684
PDB chain5xjd Chain B 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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PDB5xjd Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.
Resolution2.22 Å
Binding residue
(original residue number in PDB)		K369 V382
Binding residue
(residue number reindexed from 1)		K152 V165
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5xjd, PDBe:5xjd, PDBj:5xjd
PDBsum5xjd
PubMed28570566
UniProtQ62296|TEAD4_MOUSE Transcriptional enhancer factor TEF-3 (Gene Name=Tead4)

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