Structure of PDB 5c50 Chain A Binding Site BS01

Receptor Information
>5c50 Chain A (length=198) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNCRSEVLEVSVEGRQVEEAMLAVLHTVLLHRSTGKFHYKKEGTYSIGTV
GTQDVDCDFIDFTYVRVSSEELDRALRKVVGEFKDALRNSGGDGLGQMSL
EFYQKKKSRWPFSDECIPWEVWTVKVHVVALATEQERQICREKVGEKLCE
KIINIVEVMNRHEYLPKMPTQSEVDNVFDTGLRDVQPYLYKISFQITD
Ligand information
Ligand IDBEN
InChIInChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
InChIKeyPXXJHWLDUBFPOL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=C(\c1ccccc1)/N
CACTVS 3.341NC(=N)c1ccccc1
ACDLabs 10.04[N@H]=C(N)c1ccccc1
OpenEye OEToolkits 1.5.0[H]N=C(c1ccccc1)N
FormulaC7 H8 N2
NameBENZAMIDINE
ChEMBLCHEMBL20936
DrugBank
ZINCZINC000000036634
PDB chain5c50 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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PDB5c50 Structure of the Human Atg13-Atg101 HORMA Heterodimer: an Interaction Hub within the ULK1 Complex.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		L95 K125 V126 H127
Binding residue
(residue number reindexed from 1)		L95 K125 V126 H127
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0019901 protein kinase binding
GO:0042802 identical protein binding
GO:0044877 protein-containing complex binding
Biological Process
GO:0000045 autophagosome assembly
GO:0006914 autophagy
GO:0008285 negative regulation of cell population proliferation
GO:0010508 positive regulation of autophagy
GO:1903059 regulation of protein lipidation
Cellular Component
GO:0000407 phagophore assembly site
GO:0005737 cytoplasm
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:1990316 Atg1/ULK1 kinase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5c50, PDBe:5c50, PDBj:5c50
PDBsum5c50
PubMed26299944
UniProtQ9BSB4|ATGA1_HUMAN Autophagy-related protein 101 (Gene Name=ATG101)

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