Structure of PDB 8d3e Chain A Binding Site BS02

Receptor Information
>8d3e Chain A (length=433) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSK
ELWFSDDPNVTKTLRFKQANGKERSIYFQPPSFYVSAQDLPHIENGGVAV
LTGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEV
KSRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALG
TEVIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSG
KLLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAEL
QARSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYW
HQSMFWSDLGPDVGYEAIGLVDSSLPTVGVFAGKGVIFYLRDKVVVGIVL
WNIFNRMPIARKIIKDGEQHEDLNEVAKLFNIH
Ligand information
Ligand IDQDI
InChIInChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
InChIKeyHDANYIGFTBVIBA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1ccnc2ccc(F)cc12
ACDLabs 12.01Fc1ccc2nccc(N)c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)c(ccn2)N
FormulaC9 H7 F N2
Name6-fluoroquinolin-4-amine
ChEMBL
DrugBank
ZINCZINC000002548526
PDB chain8d3e Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8d3e Integrating early structural selection into chemical library screening for drug discovery with high-throughput small-angle X-ray scattering (SAXS)
Resolution2.38 Å
Binding residue
(original residue number in PDB)		F310 L311 E314 E453 H454 F482
Binding residue
(residue number reindexed from 1)		F183 L184 E187 E326 H327 F355
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:8d3e, PDBe:8d3e, PDBj:8d3e
PDBsum8d3e
PubMed38671223
UniProtO95831|AIFM1_HUMAN Apoptosis-inducing factor 1, mitochondrial (Gene Name=AIFM1)

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