Structure of PDB 5xqw Chain H Binding Site BS01
Receptor Information
>5xqw Chain H (length=210) Species:
10090
(Mus musculus) [
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EVQLQQSGPELEKPGASVKISCKASGYSFTDYNMNWVKQSNGKCLEWIGN
IDPYYGSTKYNQKFEDKATLTVDKSSSTAYMQLKSLTSEDSAIYYCVRSN
KYTGSVYWGQGTTLTVSSAKTTPPSVYPLAPGTGSSVTLGCLVKGYFPES
VTVTWNSGSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPAS
STTVDKKLEP
Ligand information
Ligand ID
8EU
InChI
InChI=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)
InChIKey
JKNVUUFWZPUKAB-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 2.0.6
CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]
Formula
C9 H12 N O5 P
Name
ethyl-[(4-nitrophenyl)methoxy]phosphinic acid
ChEMBL
DrugBank
ZINC
PDB chain
5xqw Chain H Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
5xqw
Structural basis of the broad substrate tolerance of the antibody 7B9-catalyzed hydrolysis of p-nitrobenzyl esters.
Resolution
2.2 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 score
1
Binding affinity
MOAD
: Kd=1.6nM
External links
PDB
RCSB:5xqw
,
PDBe:5xqw
,
PDBj:5xqw
PDBsum
5xqw
PubMed
29496413
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