Structure of PDB 2qlu Chain A Binding Site BS01

Receptor Information
>2qlu Chain A (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSLQLLEIKARGRFGCVWKAQLMNDFVAVKIFPLQDKQSWQSEREIFSTP
GMKHENLLQFIAAEKRGSNLEVELWLITAFHDKGSLTDYLKGNIITWNEL
CHVAETMSRGLSYLHEDVPWCRGEGHKPSIAHRDFKSKNVLLKSDLTAVL
ADFGLAVRFEPGKPPGDTHGQVGTRRYMAPEVLEGAINFQRDAFLRIDMY
AMGLVLWELVSRCKAADGPVDEYMLPFEEEIGQHPSLEELQEVVVHKKMR
PTIKDHWLKHPGLAQLCVTIEECWDHDAEARLSAGCVEERVSLIRRS
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain2qlu Chain A Residue 488 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qlu Crystal structure of activin receptor type IIB kinase domain from human at 2.0 Angstrom resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A215 L245 A266 F267 H268 L328
Binding residue
(residue number reindexed from 1)		A28 L58 A79 F80 H81 L141
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D321 K323 N326 D339 T361
Catalytic site (residue number reindexed from 1) D134 K136 N139 D152 T174
Enzyme Commision number 2.7.11.30: receptor protein serine/threonine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004675 transmembrane receptor protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007178 cell surface receptor protein serine/threonine kinase signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2qlu, PDBe:2qlu, PDBj:2qlu
PDBsum2qlu
PubMed17893364
UniProtQ13705|AVR2B_HUMAN Activin receptor type-2B (Gene Name=ACVR2B)

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