Structure of PDB 1n0q Chain B Binding Site BS01

Receptor Information
>1n0q Chain B (length=93) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEV
VKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGAY
Ligand information
Ligand IDTFA
InChIInChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKeyDTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(=O)O
CACTVS 3.370OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0C(=O)(C(F)(F)F)O
FormulaC2 H F3 O2
Nametrifluoroacetic acid
ChEMBLCHEMBL506259
DrugBank
ZINCZINC000003860798
PDB chain1n0q Chain B Residue 3133 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1n0q Consensus-derived structural determinants of the ankyrin repeat motif.
Resolution1.26 Å
Binding residue
(original residue number in PDB)
H73 Y93
Binding residue
(residue number reindexed from 1)
H73 Y93
Annotation score1
External links