Structure of PDB 1oar Chain H Binding Site BS01

Receptor Information
>1oar Chain H (length=122) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLQQSGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGR
IDPNGGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARMW
YYGTYYFDYWGQGTTLTVSSAA
Ligand information
Ligand IDAZN
InChIInChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)
InChIKeyJKYKXTRKURYNGW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](O)(=O)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(O)c3O
FormulaC14 H8 O7 S
NameALIZARIN RED
ChEMBLCHEMBL1206015
DrugBank
ZINCZINC000003875857
PDB chain1oar Chain H Residue 500 [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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PDB1oar Antibody Multispecificity Mediated by Conformational Diversity
Resolution2.23 Å
Binding residue
(original residue number in PDB)		W33 R50 K59 M99 Y105
Binding residue
(residue number reindexed from 1)		W33 R50 K59 M99 Y105
Annotation score1
Binding affinityMOAD: Kd=40nM
PDBbind-CN: -logKd/Ki=7.40,Kd=40nM
External links