Structure of PDB 3c50 Chain A Binding Site BS01

Receptor Information
>3c50 Chain A (length=499) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRDRKYLARLKLPPLSKCEALRESLDLGFEGMCLEQPIGKRLFQQFLRTH
EQHGPALQLWKDIEDYDTADDALRPQKAQALRAAYLEPQAQLFCSFLDAE
TVARARAGAGDGLFQPLLRAVLAHLGQAPFQEFLDSLYFLRFLQWKWLEA
QPMGEDWFLDFRVLGRGGFGEVFACQMKATGKLYACKKLNKKRLKKRKGY
QGAMVEKKILAKVHSRFIVSLAYAFETKTDLCLVMTIMNGGDIRYHIYNV
DEDNPGFQEPRAIFYTAQIVSGLEHLHQRNIIYRDLKPENVLLDDDGNVR
ISDLGLAVELKAGQTKTKGYAGTPGFMAPELLLGEEYDFSVDYFALGVTL
YEMIAARGPFRARGEKVENKELKQRVLEQAVTYPDKFSPASKDFCEALLQ
KDPEKRLGFRDGSCDGLRTHPLFRDISWRQLEAGMLTPPFVPDSRTVYAK
NIQDTVKGVAFEKADTEFFQEFASGTCPIPWQEEMIETGVFGDLNVWRP
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3c50 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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PDB3c50 Structures of rhodopsin kinase in different ligand states reveal key elements involved in G protein-coupled receptor kinase activation.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L193 G194 R195 G196 V201 A214 K216 M267 L321 D332
Binding residue
(residue number reindexed from 1)		L164 G165 R166 G167 V172 A185 K187 M238 L292 D303
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) D285 K287 E289 N290 D303 A312 T323
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
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Cellular Component
External links
PDB RCSB:3c50, PDBe:3c50, PDBj:3c50
PDBsum3c50
PubMed18339619
UniProtP28327|GRK1_BOVIN Rhodopsin kinase GRK1 (Gene Name=GRK1)

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