Structure of PDB 6pjx Chain A Binding Site BS01

Receptor Information
>6pjx Chain A (length=542) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTID
RDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGE
KGKKIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVH
EYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEV
CACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLA
YAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLE
DLHHENTVYRDLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVG
YMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRR
VLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEEAAEVKRHPFFRN
MNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYS
KFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHP
Ligand information
Ligand IDSGV
InChIInChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1
InChIKeyOBZJZDHRXBKKTJ-JTFADIMSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)C(=O)N
ACDLabs 12.01O=C(c2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N)N
CACTVS 3.370NC(=O)c1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3ncnc(N)c13
OpenEye OEToolkits 1.7.0c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N
CACTVS 3.370NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3ncnc(N)c13
FormulaC12 H15 N5 O5
NameSANGIVAMYCIN;
4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
ChEMBLCHEMBL101892
DrugBank
ZINCZINC000004217438
PDB chain6pjx Chain A Residue 601 [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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PDB6pjx Structure of a GRK5-Calmodulin Complex Reveals Molecular Mechanism of GRK Activation and Substrate Targeting.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		G193 K194 A213 T264 M266 D270 E315 L318 S328
Binding residue
(residue number reindexed from 1)		G193 K194 A213 T264 M266 D270 E315 L318 S328
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) D311 K313 E315 N316 D329 E338 T348
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:0005080 protein kinase C binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005543 phospholipid binding
GO:0008289 lipid binding
GO:0047696 beta-adrenergic receptor kinase activity
Biological Process
GO:0006468 protein phosphorylation
GO:0006915 apoptotic process
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007217 tachykinin receptor signaling pathway
GO:0008277 regulation of G protein-coupled receptor signaling pathway
GO:0008284 positive regulation of cell population proliferation
GO:0009966 regulation of signal transduction
GO:0016055 Wnt signaling pathway
GO:0016310 phosphorylation
GO:0043066 negative regulation of apoptotic process
GO:0045444 fat cell differentiation
GO:0046777 protein autophosphorylation
GO:0051726 regulation of cell cycle
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016607 nuclear speck
GO:0031965 nuclear membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6pjx, PDBe:6pjx, PDBj:6pjx
PDBsum6pjx
PubMed33321095
UniProtP34947|GRK5_HUMAN G protein-coupled receptor kinase 5 (Gene Name=GRK5)

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