Structure of PDB 8d3n Chain A Binding Site BS01

Receptor Information
>8d3n Chain A (length=437) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLS
KELWFSDDPNVTKTLRFKQNGKERSIYFQPPSFYVSAQDLPHIENGGVAV
LTGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEV
KSRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALG
TEVIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSG
KLLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAEL
QARSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYW
HQSMFWSDLGPDVGYEAIGLVDSSLPTVGVFAGKGVIFYLRDKVVVGIVL
WNIFNRMPIARKIIKDGEQHEDLNEVAKLFNIHVLFQ
Ligand information
Ligand IDQBC
InChIInChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
InChIKeyNDRZSRWMMUGOBP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(ccnc2cc1Cl)N
CACTVS 3.385Nc1ccnc2cc(Cl)ccc12
ACDLabs 12.01Clc1cc2nccc(N)c2cc1
FormulaC9 H7 Cl N2
Name7-chloroquinolin-4-amine
ChEMBLCHEMBL44789
DrugBank
ZINCZINC000000436635
PDB chain8d3n 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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PDB8d3n 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 F482 W483 S484
Binding residue
(residue number reindexed from 1)		F183 L184 E187 F355 W356 S357
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:8d3n, PDBe:8d3n, PDBj:8d3n
PDBsum8d3n
PubMed38671223
UniProtO95831|AIFM1_HUMAN Apoptosis-inducing factor 1, mitochondrial (Gene Name=AIFM1)

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