Structure of PDB 8d3g Chain B Binding Site BS02

Receptor Information
>8d3g Chain B (length=432) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSKE
LWFSDDPNVTKTLRFKQKERSIYFQPPSFYVSAQDLPHIENGGVAVLTGK
KVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKSRT
TLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTEVI
QLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKLLI
KLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQARS
NIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYWHQSM
FWSDLGYEAIGLVDSSLPTVGVFAKGVIFYLRDKVVVGIVLWNIFNRMPI
ARKIIKDGEQHEDLNEVAKLFNIHEDLEVLFQ
Ligand information
Ligand IDQD1
InChIInChI=1S/C9H7ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
InChIKeyANAOKPHXXDXCAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1ccc2nccc(N)c2c1
CACTVS 3.385Nc1ccnc2ccc(Cl)cc12
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)c(ccn2)N
FormulaC9 H7 Cl N2
Name6-chloroquinolin-4-amine
ChEMBLCHEMBL4847851
DrugBank
ZINCZINC000014988299
PDB chain8d3g 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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PDB8d3g Integrating early structural selection into chemical library screening for drug discovery with high-throughput small-angle X-ray scattering (SAXS)
Resolution2.58 Å
Binding residue
(original residue number in PDB)		F310 L311 E314 H454 F482
Binding residue
(residue number reindexed from 1)		F179 L180 E183 H323 F351
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:8d3g, PDBe:8d3g, PDBj:8d3g
PDBsum8d3g
PubMed38671223
UniProtO95831|AIFM1_HUMAN Apoptosis-inducing factor 1, mitochondrial (Gene Name=AIFM1)

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