Structure of PDB 8d3o Chain A Binding Site BS01

Receptor Information
>8d3o 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
KELWFSPNVTKTLRFKQWNGKERSIYFQPPSFYVSAQDLPHIENGGVAVL
TGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVK
SRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGT
EVIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGK
LLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQ
ARSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYWH
QSMFWSDLGPDVGYEAIGLVDSSLPTVGVFAGKGVIFYLRDKVVVGIVLW
NIFNRMPIARKIIKDGEQHEDLNEVAKLFNIHVLFQ
Ligand information
Ligand IDQF6
InChIInChI=1S/C10H10N2O/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3,(H2,11,12)
InChIKeyQMBPJEIUEYDRGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		COc1cccc2c(N)ccnc12
OpenEye OEToolkits 2.0.7COc1cccc2c1nccc2N
FormulaC10 H10 N2 O
Name8-methoxyquinolin-4-amine
ChEMBL
DrugBank
ZINCZINC000014987947
PDB chain8d3o 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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PDB8d3o Integrating early structural selection into chemical library screening for drug discovery with high-throughput small-angle X-ray scattering (SAXS)
Resolution2.25 Å
Binding residue
(original residue number in PDB)		F310 L311 E314 E453 H454 F482
Binding residue
(residue number reindexed from 1)		F182 L183 E186 E325 H326 F354
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:8d3o, PDBe:8d3o, PDBj:8d3o
PDBsum8d3o
PubMed38671223
UniProtO95831|AIFM1_HUMAN Apoptosis-inducing factor 1, mitochondrial (Gene Name=AIFM1)

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