Structure of PDB 3w92 Chain A Binding Site BS01

Receptor Information
Ligand information
Ligand IDTYZ
InChIInChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyQCXJEYYXVJIFCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Nc1ccc(cc1)C(=O)O
ACDLabs 10.04O=C(Nc1ccc(cc1)C(=O)O)C
CACTVS 3.341CC(=O)Nc1ccc(cc1)C(O)=O
FormulaC9 H9 N O3
NamePARA ACETAMIDO BENZOIC ACID
ChEMBLCHEMBL112687
DrugBankDB04500
ZINCZINC000000000226
PDB chain3w92 Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3w92 A high-resolution structure that provides insight into coiled-coil thiodepsipeptide dynamic chemistry
Resolution1.35 Å
Binding residue
(original residue number in PDB)		R1 V2 R4
Binding residue
(residue number reindexed from 1)		R1 V2 R4
Annotation score1
External links