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

---

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

---

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

Chain	Residue
A	HIS348
A	ALA349

---

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

---

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

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	262
Details	Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---