Structure of PDB 7arr Chain B Binding Site BS01

Receptor Information
>7arr Chain B (length=35) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSEEEIQRIFGLSSEQIKSLPEEKYKKKVEKTGYL
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 chain7arr Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7arr A computationally designed beta-amino acid-containing miniprotein.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		Y25 V29
Binding residue
(residue number reindexed from 1)		Y25 V29
Annotation score1
External links