Structure of PDB 8r3f Chain A Binding Site BS01

Receptor Information
>8r3f Chain A (length=103) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPMVERQDTDSCLVYGGQQMILTGQNFTSESKVVFTEKTTDGQQIWEME
ATVDKDKSQPNMLFVEIPEYRNKHIRTPVKVNFYVINGKRKRSQPQHFTY
HPV
Ligand information
Ligand IDXS8
InChIInChI=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
InChIKeyWVQYSVLMDHXHOV-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[CH]1CCOc2ccc(F)cc12
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)C(CCO2)N
CACTVS 3.385N[C@H]1CCOc2ccc(F)cc12
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)[C@H](CCO2)N
FormulaC9 H10 F N O
Name(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine
ChEMBL
DrugBank
ZINC
PDB chain8r3f Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8r3f Ligandability assessment of the C-terminal Rel-homology domain of NFAT1.
Resolution1.55 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 score1
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
PDBsum8r3f
PubMed38396281
UniProtQ13469|NFAC2_HUMAN Nuclear factor of activated T-cells, cytoplasmic 2 (Gene Name=NFATC2)

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