BioLiP

Receptor Information

>4tnd Chain A (length=529) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGR
LLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKKIMTKYLTPKS
PVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDS
MFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYAC
KRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLT
IMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHHENTVYRDLKP
ENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGL
SPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSE
EAKSICKMLLTKDAKQRLGCQEEEAAEVKRHPFFRNMNFKRLEAGMLDPP
FVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNE
MIETECFKELNVFGPNGTLPPDLNRNHPP

Ligand ID

ANP

InChI

InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1

InChIKey

PVKSNHVPLWYQGJ-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01	O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N

Formula

C10 H17 N6 O12 P3

Name

PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER

PDB chain

4tnd Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	4tnd Atomic Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) Reveals Distinct Structural Features Novel for GRKs.
Resolution	1.802 Å
Binding residue (original residue number in PDB)	G193 G195 A213 M266 L318 D329 R470
Binding residue (residue number reindexed from 1)	G179 G181 A199 M252 L304 D315 R456
Annotation score	3

Catalytic site (original residue number in PDB)	D311 K313 E315 N316 D329 E338 T348
Catalytic site (residue number reindexed from 1)	D297 K299 E301 N302 D315 E324 T334
Enzyme Commision number	2.7.11.16: [G-protein-coupled receptor] kinase.

	Molecular Function
GO:0004672	protein kinase activity
GO:0004674	protein serine/threonine kinase activity
GO:0004703	G protein-coupled receptor kinase activity
GO:0005080	protein kinase C binding
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0005543	phospholipid binding
GO:0008289	lipid binding
GO:0047696	beta-adrenergic receptor kinase activity

	Biological Process
GO:0006468	protein phosphorylation
GO:0006915	apoptotic process
GO:0007165	signal transduction
GO:0007186	G protein-coupled receptor signaling pathway
GO:0007188	adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007217	tachykinin receptor signaling pathway
GO:0008277	regulation of G protein-coupled receptor signaling pathway
GO:0008284	positive regulation of cell population proliferation
GO:0009966	regulation of signal transduction
GO:0016055	Wnt signaling pathway
GO:0016310	phosphorylation
GO:0043066	negative regulation of apoptotic process
GO:0045444	fat cell differentiation
GO:0046777	protein autophosphorylation
GO:0051726	regulation of cell cycle

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0016607	nuclear speck
GO:0031965	nuclear membrane

PDB	RCSB:4tnd, PDBe:4tnd, PDBj:4tnd
PDBsum	4tnd
PubMed	26032409
UniProt	P34947\|GRK5_HUMAN G protein-coupled receptor kinase 5 (Gene Name=GRK5)

[Back to BioLiP]

Structure of PDB 4tnd Chain A Binding Site BS01