Structure of PDB 6fmf Chain A Binding Site BS02

Receptor Information
>6fmf Chain A (length=155) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKCMEALGMESGEIHSDQITASSQYSTNWSAERSRLNYPENGWTPGEDSY
REWIQVDLGLLRFVTAVGTQGAISKETKKKYYVKTYKIDVSSNGEDWITI
KEGNKPVLFQGNTNPTDVVVAVFPKPLITRFVRIKPATWETGISMRFEVY
GCKIT
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 chain6fmf Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fmf Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
Resolution2.811 Å
Binding residue
(original residue number in PDB)		S298 T299
Binding residue
(residue number reindexed from 1)		S26 T27
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6fmf, PDBe:6fmf, PDBj:6fmf
PDBsum6fmf
PubMed29648813
UniProtO14786|NRP1_HUMAN Neuropilin-1 (Gene Name=NRP1)

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