Structure of PDB 8d3k Chain B Binding Site BS01

Receptor Information
>8d3k Chain B (length=436) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSK
ELWFSDDPNVTKTLRFKGKERSIYFQPPSFYVSAQDLPHIENGGVAVLTG
KKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKSR
TTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTEV
IQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKLL
IKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQAR
SNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYWHQS
MFWSDLGPDVGYEAIGLVDSSLPTVGVFAGKGVIFYLRDKVVVGIVLWNI
FNRMPIARKIIKDGEQHEDLNEVAKLFNIHLEVLFQ
Ligand information
Ligand IDQC6
InChIInChI=1S/C10H9FN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)
InChIKeyRHZQTGHNSDPKJV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(N)c2cccc(F)c2n1
OpenEye OEToolkits 2.0.7Cc1cc(c2cccc(c2n1)F)N
ACDLabs 12.01Fc1cccc2c(N)cc(C)nc12
FormulaC10 H9 F N2
Name8-fluoro-2-methylquinolin-4-amine
ChEMBL
DrugBank
ZINCZINC000014951249
PDB chain8d3k Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8d3k Integrating early structural selection into chemical library screening for drug discovery with high-throughput small-angle X-ray scattering (SAXS)
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F310 L311 E314 W483 S484
Binding residue
(residue number reindexed from 1)		F180 L181 E184 W353 S354
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:8d3k, PDBe:8d3k, PDBj:8d3k
PDBsum8d3k
PubMed38671223
UniProtO95831|AIFM1_HUMAN Apoptosis-inducing factor 1, mitochondrial (Gene Name=AIFM1)

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