Structure of PDB 7ra0 Chain A Binding Site BS01

Receptor Information
>7ra0 Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRPFKQRRSFADRCKEVQQIRDQHPSKIPVIIERYKGEKQLPVLDKTKFL
VPDHVNMSELVKIIRRRLQLNPTQAFFLLVNQHSMVSVSTPIADIYEQEK
DEDGFLYMVYASQET
Ligand information
Ligand ID2JI
InChIInChI=1S/C13H15NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8(2)14-12/h4-6,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyRCHPIUXYDSGZFY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O
ACDLabs 12.01O=C(O)Cc1c2cc(ccc2[NH]c1C)CC
CACTVS 3.385CCc1ccc2[nH]c(C)c(CC(O)=O)c2c1
FormulaC13 H15 N O2
Name(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid
ChEMBL
DrugBank
ZINCZINC000002582689
PDB chain7ra0 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ra0 A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		K30 P55 I66
Binding residue
(residue number reindexed from 1)		K27 P52 I63
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005543 phospholipid binding
GO:0008017 microtubule binding
GO:0008429 phosphatidylethanolamine binding
GO:0031625 ubiquitin protein ligase binding
Biological Process
GO:0000045 autophagosome assembly
GO:0000422 autophagy of mitochondrion
GO:0006914 autophagy
GO:0006995 cellular response to nitrogen starvation
GO:0007254 JNK cascade
GO:0009267 cellular response to starvation
GO:0010040 response to iron(II) ion
GO:0010288 response to lead ion
GO:0016236 macroautophagy
GO:0031667 response to nutrient levels
GO:0034198 cellular response to amino acid starvation
GO:0038066 p38MAPK cascade
GO:0060395 SMAD protein signal transduction
GO:0070301 cellular response to hydrogen peroxide
GO:0071280 cellular response to copper ion
GO:0090650 cellular response to oxygen-glucose deprivation
GO:0097352 autophagosome maturation
Cellular Component
GO:0000421 autophagosome membrane
GO:0005737 cytoplasm
GO:0005770 late endosome
GO:0005776 autophagosome
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0012505 endomembrane system
GO:0016020 membrane
GO:0031090 organelle membrane
GO:0031410 cytoplasmic vesicle
GO:0043231 intracellular membrane-bounded organelle
GO:0044754 autolysosome
GO:0045202 synapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ra0, PDBe:7ra0, PDBj:7ra0
PDBsum7ra0
PubMed34985287
UniProtQ9H492|MLP3A_HUMAN Microtubule-associated proteins 1A/1B light chain 3A (Gene Name=MAP1LC3A)

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