Structure of PDB 1oax Chain J Binding Site BS01
Receptor Information
>1oax Chain J (length=122) Species:
10090
(Mus musculus) [
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EVQLQQSGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGR
IDPNGGGTKYNLKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARMW
YYGTYYFDYWGQGTTLTVSSAA
Ligand information
Ligand ID
ANQ
InChI
InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
InChIKey
AFPRJLBZLPBTPZ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
O=C1C(=O)c2cccc3cccc1c23
OpenEye OEToolkits 1.5.0
c1cc2cccc3c2c(c1)C(=O)C3=O
ACDLabs 10.04
O=C3c2cccc1cccc(c12)C3=O
Formula
C12 H6 O2
Name
ACENAPHTHENEQUINONE
ChEMBL
CHEMBL395653
DrugBank
ZINC
ZINC000001529526
PDB chain
1oax Chain J Residue 500 [
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Receptor-Ligand Complex Structure
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PDB
1oax
Antibody Multispecificity Mediated by Conformational Diversity
Resolution
2.67 Å
Binding residue
(original residue number in PDB)
W33 H35 R50 Y105
Binding residue
(residue number reindexed from 1)
W33 H35 R50 Y105
Annotation score
1
External links
PDB
RCSB:1oax
,
PDBe:1oax
,
PDBj:1oax
PDBsum
1oax
PubMed
12610298
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