Structure of PDB 8h7n Chain A Binding Site BS01

Receptor Information
>8h7n Chain A (length=118) Species: 9837 (Camelus bactrianus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLVESGGGLVQPGGSLRLSCVGSGRVRTINTAGWYRQAPGQEPEFLAR
ITVGGTTSYADSVKGRFTISRDLAKSTVYLQMDYLKPEDTAVYYCNADFD
FGSRTAWGQGTQVTVSSG
Ligand information
Ligand IDWYW
InChIInChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyAMFGTOFWMRQMEM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCO[P](=S)(OCC)Oc1ncn(n1)c2ccccc2
ACDLabs 12.01CCOP(=S)(OCC)Oc1ncn(n1)c1ccccc1
OpenEye OEToolkits 2.0.7CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2
FormulaC12 H16 N3 O3 P S
Nametriazophos;
O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate
ChEMBLCHEMBL1553726
DrugBank
ZINCZINC000002014879
PDB chain8h7n Chain A Residue 204 [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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PDB8h7n Structure of nanobody 11A in complex with triazophos
Resolution1.99 Å
Binding residue
(original residue number in PDB)		C22 V28 I31 V53 D72 L73 S76 V78
Binding residue
(residue number reindexed from 1)		C22 V28 I31 V53 D72 L73 S76 V78
Annotation score1
External links