Structure of PDB 8tsn Chain A Binding Site BS01

Receptor Information
>8tsn Chain A (length=226) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVQIGFLLFPEVQQLDLTGPHDVLASLPDVQVHLIWKEPGPVVASSGLVL
QATTSFADCPPLDVICIPGGTGVGALMEDPQALAFIRQQAARARYVTSVC
TGSLVLGAAGLLQGKRATTHWAYHELLAPLGAIPVHERVVRDGNLLTGTG
ITAGIDFALTLAAELFDAATAQRVQLQLEYAPAPPFNAGSPDTAPASVVQ
QARQRAADSLHKRREITLRAAARLAA
Ligand information
Ligand IDQCV
InChIInChI=1S/C7H6N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,1H2
InChIKeyHXHIWKCPLNZQQD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C=Nc1ccc(cc1)[N](=O)=O
OpenEye OEToolkits 2.0.7C=Nc1ccc(cc1)N(=O)=O
ACDLabs 12.01C=N\c1ccc(cc1)N(=O)=O
FormulaC7 H6 N2 O2
NameN-(4-nitrophenyl)methanimine
ChEMBLCHEMBL1967488
DrugBank
ZINCZINC000004783136
PDB chain8tsn 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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PDB8tsn Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Resolution Å
Binding residue
(original residue number in PDB)		Q14 C101 H121
Binding residue
(residue number reindexed from 1)		Q13 C100 H120
Annotation score1
External links