Structure of PDB 8d3h Chain B Binding Site BS02

Receptor Information
>8d3h Chain B (length=434) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLS
KELWFSDDPNVTKTLRFKQKERSIYFQPPSFYVSAQDLPHIENGGVAVLT
GKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKS
RTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTE
VIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKL
LIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQA
RSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYWHQ
SMFWSDLGPDVGYEAIGLVDSSLPTVGVFAGKGVIFYLRDKVVVGIVLWN
IFNRMPIARKIIKDGEQHEDLNEVAKLFNIHEVL
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 chain8d3h Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8d3h Integrating early structural selection into chemical library screening for drug discovery with high-throughput small-angle X-ray scattering (SAXS)
Resolution2.51 Å
Binding residue
(original residue number in PDB)		L311 E314 F482 W483
Binding residue
(residue number reindexed from 1)		L182 E185 F353 W354
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:8d3h, PDBe:8d3h, PDBj:8d3h
PDBsum8d3h
PubMed38671223
UniProtO95831|AIFM1_HUMAN Apoptosis-inducing factor 1, mitochondrial (Gene Name=AIFM1)

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