Structure of PDB 1g6u Chain B Binding Site BS01
Receptor Information
>1g6u Chain B (length=48) [
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SLAALKSELQALKKEGFSPEELAALESELQALEKKLAALKSKLQALKG
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
1g6u Chain B Residue 200 [
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Receptor-Ligand Complex Structure
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PDB
1g6u
Design of three-dimensional domain-swapped dimers and fibrous oligomers.
Resolution
1.48 Å
Binding residue
(original residue number in PDB)
S1 L2 A3
Binding residue
(residue number reindexed from 1)
S1 L2 A3
Annotation score
1
External links
PDB
RCSB:1g6u
,
PDBe:1g6u
,
PDBj:1g6u
PDBsum
1g6u
PubMed
11171963
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