Structure of PDB 8d3i Chain A Binding Site BS01

Receptor Information
>8d3i Chain A (length=439) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLS
KELWFSDDPNVTKTLRFKQANGKERSIYFQPPSFYVSAQDLPHIENGGVA
VLTGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAE
VKSRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARAL
GTEVIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSS
GKLLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAE
LQARSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPY
WHQSMFWSDLGPDVGYEAIGLVDSSLPTVGVFAYGKGVIFYLRDKVVVGI
VLWNIFNRMPIARKIIKDGEQHEDLNEVAKLFNIHVLFQ
Ligand information
Ligand ID1LM
InChIInChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)
InChIKeyFQYRLEXKXQRZDH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ccn2)N
ACDLabs 12.01n1ccc(c2ccccc12)N
CACTVS 3.370Nc1ccnc2ccccc12
FormulaC9 H8 N2
Namequinolin-4-amine
ChEMBLCHEMBL58146
DrugBank
ZINCZINC000004202478
PDB chain8d3i 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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PDB8d3i Integrating early structural selection into chemical library screening for drug discovery with high-throughput small-angle X-ray scattering (SAXS)
Resolution2.65 Å
Binding residue
(original residue number in PDB)		F310 L311 E314 W483
Binding residue
(residue number reindexed from 1)		F184 L185 E188 W357
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:8d3i, PDBe:8d3i, PDBj:8d3i
PDBsum8d3i
PubMed38671223
UniProtO95831|AIFM1_HUMAN Apoptosis-inducing factor 1, mitochondrial (Gene Name=AIFM1)

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