Structure of PDB 5xqw Chain H Binding Site BS01

Receptor Information
>5xqw Chain H (length=210) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLQQSGPELEKPGASVKISCKASGYSFTDYNMNWVKQSNGKCLEWIGN
IDPYYGSTKYNQKFEDKATLTVDKSSSTAYMQLKSLTSEDSAIYYCVRSN
KYTGSVYWGQGTTLTVSSAKTTPPSVYPLAPGTGSSVTLGCLVKGYFPES
VTVTWNSGSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPAS
STTVDKKLEP
Ligand information
Ligand ID8EU
InChIInChI=1S/C9H12NO5P/c1-2-16(13,14)15-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyJKNVUUFWZPUKAB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 2.0.6CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]
FormulaC9 H12 N O5 P
Nameethyl-[(4-nitrophenyl)methoxy]phosphinic acid
ChEMBL
DrugBank
ZINC
PDB chain5xqw Chain H 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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PDB5xqw Structural basis of the broad substrate tolerance of the antibody 7B9-catalyzed hydrolysis of p-nitrobenzyl esters.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N35 S95 N96 K97 G100 V101
Binding residue
(residue number reindexed from 1)		N35 S99 N100 K101 G104 V106
Annotation score1
Binding affinityMOAD: Kd=1.6nM
External links