Structure of PDB 3c4w Chain A Binding Site BS01

Receptor Information
>3c4w Chain A (length=494) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDRKYLARLKLPPLSKCEALRESLDLGFEGMCLEQPIGKRLFQQFLRTHE
QHGPALQLWKDIEDYDTADDALRPQKAQALRAAYLEPQAQLFCSFLDAET
VARARAGAGDGLFQPLLRAVLAHLGQAPFQEFLDSLYFLRFLQWKWLEAQ
PMGEDWFLDFRVLGRGGFGEVFACQMKATGKLYACKKLNKKRLKKRKGYQ
GAMVEKKILAKVHSRFIVSLAYAFETKTDLCLVMTIMNGGDIRYHIYNVD
EDNPGFQEPRAIFYTAQIVSGLEHLHQRNIIYRDLKPENVLLDDDGNVRI
SDLGLAVELKAGQTKTKGYAGTPGFMAPELLLGEEYDFSVDYFALGVTLY
EMIAARGPFRARGEKVENKELKQRVLEQAVTYPDKFSPASKDFCEALLQK
DPEKRLGFRDGSCDGLRTHPLFRDISWRQLEAGMLTPPFVPDQDVGAFST
VKGVAFEKADTEFFQEFASGTCPIPWQEEMIETGVFGDLNVWRP
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
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)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain3c4w Chain A Residue 562 [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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PDB3c4w Structures of rhodopsin kinase in different ligand states reveal key elements involved in G protein-coupled receptor kinase activation.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G194 R195 G196 V201 A214 K216 M267 L321 D332
Binding residue
(residue number reindexed from 1)		G164 R165 G166 V171 A184 K186 M237 L291 D302
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D314 K316 E318 N319 D332 A341 T352
Catalytic site (residue number reindexed from 1) D284 K286 E288 N289 D302 A311 T322
Enzyme Commision number 2.7.11.14: rhodopsin 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:0007601 visual perception
GO:0009966 regulation of signal transduction
GO:0016310 phosphorylation
GO:0022400 regulation of opsin-mediated signaling pathway
GO:0046777 protein autophosphorylation
Cellular Component
GO:0001750 photoreceptor outer segment
GO:0005737 cytoplasm
GO:0016020 membrane
GO:0042995 cell projection
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:3c4w, PDBe:3c4w, PDBj:3c4w
PDBsum3c4w
PubMed18339619
UniProtP28327|GRK1_BOVIN Rhodopsin kinase GRK1 (Gene Name=GRK1)

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