Structure of PDB 8h7r Chain A Binding Site BS01

Receptor Information
>8h7r 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 IDWZ0
InChIInChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKeyBXNANOICGRISHX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(=C2C)Cl
CACTVS 3.385CCO[P](=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C
ACDLabs 12.01CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C
FormulaC14 H16 Cl O5 P S
Namecoumaphos;
O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate
ChEMBLCHEMBL251680
DrugBankDB11390
ZINCZINC000000608284
PDB chain8h7r Chain A Residue 201 [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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PDB8h7r Structure of nanobody 11A in complex with coumaphos
Resolution2.0 Å
Binding residue
(original residue number in PDB)		V28 R29 I31 T52 D72 L73 S76 V78
Binding residue
(residue number reindexed from 1)		V28 R29 I31 T52 D72 L73 S76 V78
Annotation score1
External links