BioLiP

PDB

5lqf Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.

Chain

Resolution

2.06 Å

3D
structure

Catalytic site residues are labeled in the structure
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Site
#

Ligand

Ligand
chain

Binding residues on receptor
(original residue number in PDB)

Binding residues on receptor
(residue number reindexed from 1)

Binding affinity

BS01

4SP

I10 A31 V64 F80 E81 F82 L83 S84 M85 D86 K89 L135 D146

I13 A34 V67 F83 E84 F85 L86 S87 M88 D89 K92 L138 D149

PDBbind-CN: -logKd/Ki=6.60,IC50=0.25uM
BindingDB: IC50=250nM

Molecular Function

GO:0001618

virus receptor activity

GO:0003682

chromatin binding

GO:0004672

protein kinase activity

GO:0004674

protein serine/threonine kinase activity

GO:0004693

cyclin-dependent protein serine/threonine kinase activity

GO:0005515

protein binding

GO:0005524

ATP binding

GO:0008353

RNA polymerase II CTD heptapeptide repeat kinase activity

GO:0016301

kinase activity

GO:0030332

cyclin binding

GO:0030544

Hsp70 protein binding

GO:0035173

histone kinase activity

GO:0097472

cyclin-dependent protein kinase activity

GO:0106310

protein serine kinase activity

	Biological Process
GO:0000082	G1/S transition of mitotic cell cycle
GO:0000086	G2/M transition of mitotic cell cycle
GO:0000226	microtubule cytoskeleton organization
GO:0006260	DNA replication
GO:0006281	DNA repair
GO:0006338	chromatin remodeling
GO:0006357	regulation of transcription by RNA polymerase II
GO:0006468	protein phosphorylation
GO:0006915	apoptotic process
GO:0006974	DNA damage response
GO:0007077	mitotic nuclear membrane disassembly
GO:0007095	mitotic G2 DNA damage checkpoint signaling
GO:0007098	centrosome cycle
GO:0007344	pronuclear fusion
GO:0009410	response to xenobiotic stimulus
GO:0009636	response to toxic substance
GO:0010628	positive regulation of gene expression
GO:0010629	negative regulation of gene expression
GO:0010971	positive regulation of G2/M transition of mitotic cell cycle
GO:0014038	regulation of Schwann cell differentiation
GO:0014070	response to organic cyclic compound
GO:0014075	response to amine
GO:0014823	response to activity
GO:0016310	phosphorylation
GO:0016477	cell migration
GO:0016579	protein deubiquitination
GO:0018105	peptidyl-serine phosphorylation
GO:0018107	peptidyl-threonine phosphorylation
GO:0030261	chromosome condensation
GO:0030855	epithelial cell differentiation
GO:0031100	animal organ regeneration
GO:0034501	protein localization to kinetochore
GO:0042307	positive regulation of protein import into nucleus
GO:0042542	response to hydrogen peroxide
GO:0042752	regulation of circadian rhythm
GO:0043066	negative regulation of apoptotic process
GO:0044772	mitotic cell cycle phase transition
GO:0045471	response to ethanol
GO:0045740	positive regulation of DNA replication
GO:0045931	positive regulation of mitotic cell cycle
GO:0045995	regulation of embryonic development
GO:0046686	response to cadmium ion
GO:0046688	response to copper ion
GO:0046718	symbiont entry into host cell
GO:0048144	fibroblast proliferation
GO:0048511	rhythmic process
GO:0048678	response to axon injury
GO:0051301	cell division
GO:0055015	ventricular cardiac muscle cell development
GO:0060045	positive regulation of cardiac muscle cell proliferation
GO:0062033	positive regulation of mitotic sister chromatid segregation
GO:0065003	protein-containing complex assembly
GO:0070301	cellular response to hydrogen peroxide
GO:0070371	ERK1 and ERK2 cascade
GO:0071407	cellular response to organic cyclic compound
GO:0090166	Golgi disassembly
GO:1900182	positive regulation of protein localization to nucleus
GO:1902423	regulation of attachment of mitotic spindle microtubules to kinetochore
GO:1902850	microtubule cytoskeleton organization involved in mitosis
GO:1905448	positive regulation of mitochondrial ATP synthesis coupled electron transport

Biological Process

GO:0000082

G1/S transition of mitotic cell cycle

GO:0000086

G2/M transition of mitotic cell cycle

GO:0000226

microtubule cytoskeleton organization

DNA replication

DNA repair

chromatin remodeling

regulation of transcription by RNA polymerase II

GO:0006468

protein phosphorylation

GO:0006915

apoptotic process

GO:0006974

DNA damage response

GO:0007077

mitotic nuclear membrane disassembly

GO:0007095

mitotic G2 DNA damage checkpoint signaling

GO:0007098

centrosome cycle

GO:0007344

pronuclear fusion

GO:0009410

response to xenobiotic stimulus

GO:0009636

response to toxic substance

GO:0010628

positive regulation of gene expression

GO:0010629

negative regulation of gene expression

GO:0010971

positive regulation of G2/M transition of mitotic cell cycle

GO:0014038

regulation of Schwann cell differentiation

GO:0014070

response to organic cyclic compound

response to amine

response to activity

phosphorylation

cell migration

protein deubiquitination

GO:0018105

peptidyl-serine phosphorylation

GO:0018107

peptidyl-threonine phosphorylation

GO:0030261

chromosome condensation

GO:0030855

epithelial cell differentiation

GO:0031100

animal organ regeneration

GO:0034501

protein localization to kinetochore

GO:0042307

positive regulation of protein import into nucleus

GO:0042542

response to hydrogen peroxide

GO:0042752

regulation of circadian rhythm

GO:0043066

negative regulation of apoptotic process

GO:0044772

mitotic cell cycle phase transition

GO:0045471

response to ethanol

GO:0045740

positive regulation of DNA replication

GO:0045931

positive regulation of mitotic cell cycle

GO:0045995

regulation of embryonic development

GO:0046686

response to cadmium ion

GO:0046688

response to copper ion

GO:0046718

symbiont entry into host cell

GO:0048144

fibroblast proliferation

GO:0048511

rhythmic process

GO:0048678

response to axon injury

GO:0051301

cell division

GO:0055015

ventricular cardiac muscle cell development

GO:0060045

positive regulation of cardiac muscle cell proliferation

GO:0062033

positive regulation of mitotic sister chromatid segregation

GO:0065003

protein-containing complex assembly

GO:0070301

cellular response to hydrogen peroxide

GO:0070371

ERK1 and ERK2 cascade

GO:0071407

cellular response to organic cyclic compound

GO:0090166

Golgi disassembly

GO:1900182

positive regulation of protein localization to nucleus

GO:1902423

regulation of attachment of mitotic spindle microtubules to kinetochore

GO:1902850

microtubule cytoskeleton organization involved in mitosis

GO:1905448

positive regulation of mitochondrial ATP synthesis coupled electron transport

	Cellular Component
GO:0000307	cyclin-dependent protein kinase holoenzyme complex
GO:0000781	chromosome, telomeric region
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005759	mitochondrial matrix
GO:0005789	endoplasmic reticulum membrane
GO:0005813	centrosome
GO:0005819	spindle
GO:0005829	cytosol
GO:0005856	cytoskeleton
GO:0005876	spindle microtubule
GO:0016020	membrane
GO:0030496	midbody
GO:0070062	extracellular exosome
GO:0072686	mitotic spindle
GO:0097121	cyclin A1-CDK1 complex
GO:0097122	cyclin A2-CDK1 complex
GO:0097125	cyclin B1-CDK1 complex

Cellular Component

GO:0000307

cyclin-dependent protein kinase holoenzyme complex

GO:0000781

chromosome, telomeric region

nucleus

nucleoplasm

cytoplasm