Structure of PDB 4yhj Chain A Binding Site BS01

Receptor Information
>4yhj Chain A (length=501) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRSKKWKEILTLPPVSQCSELRHSIEKDYSSLCDKQPIGRRLFRQFCDTK
PTLKRHIEFLDAVAEYEVADDEDRSDCGLSILDRFFNDKLAAPLPEIPPD
VVTECRLGLKEENPSKKAFEECTRVAHNYLRGEPFEEYQESSYFSQFLQW
KWLERQPVTKNTFRHYRVLGKGGFGEVCACQVRATGKMYACKKLQKKRIK
KRKGEAMALNEKRILEKVQSRFVVSLAYAYETKDALCLVLTIMNGGDLKF
HIYNLGNPGFDEQRAVFYAAELCCGLEDLQRERIVYRDLKPENILLDDRG
HIRISDLGLATEIPEGQRVRGRVGTVGYMAPEVVNNEKYTFSPDWWGLGC
LIYEMIQGHSPFKKYKEKVKWEEVDQRIKNDTEEYSEKFSEDAKSICRML
LTKNPSKRLGCRGEGAAGVKQHPVFKDINFRRLEANMLEPPFCPDPHAVY
CKDVLDIEQFSVVKGIYLDTADEDFYARFATGCVSIPWQNEMIESGCFKD
I
Ligand information
Ligand IDAN2
InChIInChI=1S/C10H16N6O9P2/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-27(21,22)25-26(12,19)20/h2-4,6-7,10,17-18H,1H2,(H,21,22)(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyFQMDCEJHLOLKLI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(N)O)O)O)N
ACDLabs 10.04O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](N)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](N)(O)=O)[CH](O)[CH]3O
FormulaC10 H16 N6 O9 P2
NameAMP PHOSPHORAMIDATE
ChEMBLCHEMBL574810
DrugBank
ZINC
PDB chain4yhj 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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PDB4yhj Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G197 V201 A214 T265 M267 L319 D330
Binding residue
(residue number reindexed from 1)		G173 V177 A190 T241 M243 L295 D306
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D312 K314 E316 N317 D330 E339 T349
Catalytic site (residue number reindexed from 1) D288 K290 E292 N293 D306 E315 T325
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:0050254 rhodopsin kinase activity
Biological Process
GO:0006468 protein phosphorylation
GO:0007165 signal transduction
GO:0008277 regulation of G protein-coupled receptor signaling pathway
GO:0009966 regulation of signal transduction
GO:0016310 phosphorylation
GO:0022400 regulation of opsin-mediated signaling pathway
GO:0031623 receptor internalization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005938 cell cortex
GO:0097381 photoreceptor disc membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4yhj, PDBe:4yhj, PDBj:4yhj
PDBsum4yhj
PubMed26134571
UniProtP32298|GRK4_HUMAN G protein-coupled receptor kinase 4 (Gene Name=GRK4)

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