Structure of PDB 8d3j Chain A Binding Site BS02

Receptor Information
>8d3j Chain A (length=436) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLS
KELWFSDDPNVTKTLRFKQKERSIYFQPPSFYVSAQDLPHIENGGVAVLT
GKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKS
RTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTE
VIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKL
LIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQA
RSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYWHQ
SMFWSDLGPDVGYEAIGLVDSSLPTVGVFAYGKGVIFYLRDKVVVGIVLW
NIFNRMPIARKIIKDGEQHEDLNEVAKLFNIHVLFQ
Ligand information
Ligand IDQEF
InChIInChI=1S/C10H9FN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)
InChIKeyPTJKTKQKAHCGDF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(N)c2cc(F)ccc2n1
ACDLabs 12.01Fc1ccc2nc(C)cc(N)c2c1
OpenEye OEToolkits 2.0.7Cc1cc(c2cc(ccc2n1)F)N
FormulaC10 H9 F N2
Name6-fluoro-2-methylquinolin-4-amine
ChEMBL
DrugBank
ZINCZINC000008549018
PDB chain8d3j Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8d3j Integrating early structural selection into chemical library screening for drug discovery with high-throughput small-angle X-ray scattering (SAXS)
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F310 L311 E314 H454 F482 W483 S484
Binding residue
(residue number reindexed from 1)		F181 L182 E185 H325 F353 W354 S355
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.99.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046983 protein dimerization activity

View graph for
Molecular Function
External links
PDB RCSB:8d3j, PDBe:8d3j, PDBj:8d3j
PDBsum8d3j
PubMed38671223
UniProtO95831|AIFM1_HUMAN Apoptosis-inducing factor 1, mitochondrial (Gene Name=AIFM1)

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