Structure of PDB 8r3f Chain A Binding Site BS01
Receptor Information
>8r3f Chain A (length=103) Species:
9606
(Homo sapiens) [
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ELPMVERQDTDSCLVYGGQQMILTGQNFTSESKVVFTEKTTDGQQIWEME
ATVDKDKSQPNMLFVEIPEYRNKHIRTPVKVNFYVINGKRKRSQPQHFTY
HPV
Ligand information
Ligand ID
XS8
InChI
InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1
InChIKey
WVQYSVLMDHXHOV-QMMMGPOBSA-N
SMILES
Software
SMILES
CACTVS 3.385
N[CH]1CCOc2ccc(F)cc12
OpenEye OEToolkits 2.0.7
c1cc2c(cc1F)C(CCO2)N
CACTVS 3.385
N[C@H]1CCOc2ccc(F)cc12
OpenEye OEToolkits 2.0.7
c1cc2c(cc1F)[C@H](CCO2)N
Formula
C9 H10 F N O
Name
(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine
ChEMBL
DrugBank
ZINC
PDB chain
8r3f Chain A Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
8r3f
Ligandability assessment of the C-terminal Rel-homology domain of NFAT1.
Resolution
1.55 Å
Binding residue
(original residue number in PDB)
F603 T604 S605 K630 S633 Q634 P635
Binding residue
(residue number reindexed from 1)
F28 T29 S30 K55 S58 Q59 P60
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003700
DNA-binding transcription factor activity
Biological Process
GO:0006355
regulation of DNA-templated transcription
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Molecular Function
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Biological Process
External links
PDB
RCSB:8r3f
,
PDBe:8r3f
,
PDBj:8r3f
PDBsum
8r3f
PubMed
38396281
UniProt
Q13469
|NFAC2_HUMAN Nuclear factor of activated T-cells, cytoplasmic 2 (Gene Name=NFATC2)
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