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5UUU

Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0004703molecular_functionG protein-coupled receptor kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
A0007165biological_processsignal transduction
Functional Information from PDB Data
site_idAC1
Number of Residues21
Detailsbinding site for residue QRW A 601
ChainResidue
AILE197
ALEU222
ALEU235
AALA236
AGLU239
AASP272
AMET274
ALEU324
AASP335
AGLY337
AHOH702
AARG199
AHOH707
AHOH732
AGLY200
AGLY201
APHE202
AGLY203
AVAL205
AALA218
ALYS220

site_idAC2
Number of Residues5
Detailsbinding site for residue SO4 A 602
ChainResidue
ATYR356
ALYS383
AHIS388
ASER389
AARG392

site_idAC3
Number of Residues4
Detailsbinding site for residue SO4 A 603
ChainResidue
ASER192
AHIS194
AARG209
ALYS230

site_idAC4
Number of Residues5
Detailsbinding site for residue MES A 604
ChainResidue
ALEU273
AASN275
AASP326
AGLU327
AARG332

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGRGGFGEVYgCrkadtgkm..........YAMK
ChainResidueDetails
AILE197-LYS220

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VvYrDLKpaNILL
ChainResidueDetails
AVAL313-LEU325

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP317

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AILE197
ALYS220

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PDB entries from 2024-10-09

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