Structure of PDB 3nyo Chain B Binding Site BS02

Receptor Information
>3nyo Chain B (length=553) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELENIVANTVLLKAREGGGGNRKGKSKKWRQMLQFPHISQCEELRLSLER
DYHSLCERQPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDKRKAC
GRQLTQNFLSHTGPDLIPEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHE
YLSVAPFADYLDSIYFNRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVC
ACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFVVSLAY
AYETKDALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLED
LHRERIVYRDLKPENILLDDHGHIRISDLGLAVHVPEGQTIKGRVGTVGY
MAPEVVKNERYTFSPDWWALGCLLYEMIAGQSPFQKKIKREEVERLVKEV
PEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFK
RLGAGMLEPPFKPDPQAIYCKDVLDIEQFSTVKGVELEPTDQDFYQKFAT
GSVPIPWQNEMVETECFQELNVFGLDGSVPPDLDWKGQPPAPPKKGLLQR
LFS
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain3nyo Chain B Residue 583 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3nyo Molecular basis for activation of G protein-coupled receptor kinases.
Resolution2.92 Å
Binding residue
(original residue number in PDB)		C57 R64
Binding residue
(residue number reindexed from 1)		C56 R63
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D311 K313 E315 N316 D329 E338 T348
Catalytic site (residue number reindexed from 1) D310 K312 E314 N315 D328 E337 T347
Enzyme Commision number 2.7.11.16: [G-protein-coupled receptor] kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004703 G protein-coupled receptor kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0047696 beta-adrenergic receptor kinase activity
Biological Process
GO:0006468 protein phosphorylation
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0008277 regulation of G protein-coupled receptor signaling pathway
GO:0009966 regulation of signal transduction
GO:0016055 Wnt signaling pathway
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3nyo, PDBe:3nyo, PDBj:3nyo
PDBsum3nyo
PubMed20729810
UniProtP43250|GRK6_HUMAN G protein-coupled receptor kinase 6 (Gene Name=GRK6)

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