Structure of PDB 7ra0 Chain A Binding Site BS02

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 202 [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)		H86 S87 V91 I98 E102
Binding residue
(residue number reindexed from 1)		H83 S84 V88 I95 E99
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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