Structure of PDB 8h7m Chain A Binding Site BS01
Receptor Information
>8h7m Chain A (length=117) Species:
9837
(Camelus bactrianus) [
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EVQLVESGGGLVQPGGSLRLSCVGSGRVRTINTAGWYRQAPGQEPEFLAR
ITVGGTTSYADSVKGRFTISRDLAKSTVYLQMDYLKPEDTAVYYCNADFD
FGSRTAWGQGTQVTVSS
Ligand information
Ligand ID
WYS
InChI
InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey
LCCNCVORNKJIRZ-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O
CACTVS 3.385
CCO[P](=S)(OCC)Oc1ccc(cc1)[N](=O)=O
ACDLabs 12.01
S=P(Oc1ccc(cc1)N(=O)=O)(OCC)OCC
Formula
C10 H14 N O5 P S
Name
parathion;
O,O-diethyl O-(4-nitrophenyl) phosphorothioate
ChEMBL
CHEMBL261919
DrugBank
ZINC
ZINC000000896311
PDB chain
8h7m Chain A Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
8h7m
Structure of nanobody 11A in complex with parathion
Resolution
1.87 Å
Binding residue
(original residue number in PDB)
V28 R29 I31 L73 S76 V78
Binding residue
(residue number reindexed from 1)
V28 R29 I31 L73 S76 V78
Annotation score
1
External links
PDB
RCSB:8h7m
,
PDBe:8h7m
,
PDBj:8h7m
PDBsum
8h7m
PubMed
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