Structure of PDB 1n0q Chain B Binding Site BS01
Receptor Information
>1n0q Chain B (length=93) [
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NGRTPLHLAARNGHLEVVKLLLEAGADVNAKDKNGRTPLHLAARNGHLEV
VKLLLEAGADVNAKDKNGRTPLHLAARNGHLEVVKLLLEAGAY
Ligand information
Ligand ID
TFA
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
FC(F)(F)C(=O)O
CACTVS 3.370
OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0
C(=O)(C(F)(F)F)O
Formula
C2 H F3 O2
Name
trifluoroacetic acid
ChEMBL
CHEMBL506259
DrugBank
ZINC
ZINC000003860798
PDB chain
1n0q Chain B Residue 3133 [
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Receptor-Ligand Complex Structure
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PDB
1n0q
Consensus-derived structural determinants of the ankyrin repeat motif.
Resolution
1.26 Å
Binding residue
(original residue number in PDB)
H73 Y93
Binding residue
(residue number reindexed from 1)
H73 Y93
Annotation score
1
External links
PDB
RCSB:1n0q
,
PDBe:1n0q
,
PDBj:1n0q
PDBsum
1n0q
PubMed
12461176
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