Structure of PDB 8t5g Chain A Binding Site BS01

Receptor Information
>8t5g Chain A (length=461) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRLPSPEVYRFVVKDSEENIVFEDNLQSRSGIPIIKGGTVVKLIERLTYH
MYADPNFVRTFLTTYRSFCKPQELLSLLIERFEIPEPEPTDADLKRFRKE
YVQPVQLRILNVFRHWVEHHFYDFERDLYLLERLESFISSVRGKAMKKWV
ESIAKIIRRKKQAQANITFESPPPPIEWHISKPGHIETFDLMTLHPIEIA
RQLTLLESDLYRKVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWF
EKCIVEAENFEERVAVLSRIIEILQVFQDLNNFNGVLEIVSAVNSVSVYR
LDHTFEALQERKRKILDEAVELSQDHFKKYLVKLKSINPPCVPFFGIYLT
NILKTEEGNNDFLTRHGKDLINFSKRRKVAEITGEIQQYQNQPYCLRIEP
DMRRFFENLNPMGSASEKEFTDYLFNKSLEIEPRNPKQPPRFPRKSTFSL
KSPGIRPNTGR
Ligand information
Ligand IDTHA
InChIInChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
InChIKeyYLJREFDVOIBQDA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1c2CCCCc2nc3ccccc13
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c3c(n2)CCCC3)N
ACDLabs 10.04n1c3c(c(c2c1cccc2)N)CCCC3
FormulaC13 H14 N2
NameTACRINE
ChEMBLCHEMBL95
DrugBankDB00382
ZINCZINC000019014866
PDB chain8t5g Chain A Residue 1106 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8t5g Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		N877 Y882 F888 E889 R896
Binding residue
(residue number reindexed from 1)		N294 Y299 F305 E306 R313
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity
Biological Process
GO:0007264 small GTPase-mediated signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:8t5g, PDBe:8t5g, PDBj:8t5g
PDBsum8t5g
PubMed38156904
UniProtQ07890|SOS2_HUMAN Son of sevenless homolog 2 (Gene Name=SOS2)

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