5UVC

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

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0004703	molecular_function	G protein-coupled receptor kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
A	0007165	biological_process	signal transduction

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	binding site for residue 8PV A 600

Chain	Residue
A	ILE197
A	ASP335
A	GLY200
A	PHE202
A	VAL205
A	ALA218
A	LYS220
A	ASP272
A	MET274
A	LEU324

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site_id	AC2
Number of Residues	6
Details	binding site for residue SO4 A 601

Chain	Residue
A	TYR356
A	LYS383
A	HIS388
A	SER389
A	ARG392
A	HOH724

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site_id	AC3
Number of Residues	2
Details	binding site for residue SO4 A 602

Chain	Residue
A	HIS348
A	ALA349

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Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGRGGFGEVYgCrkadtgkm..........YAMK

Chain	Residue	Details
A	ILE197-LYS220

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site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VvYrDLKpaNILL

Chain	Residue	Details
A	VAL313-LEU325

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027

Chain	Residue	Details
A	ASP317

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site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	LYS220
A	ILE197

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