Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6RIJ

CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000082	biological_process	G1/S transition of mitotic cell cycle
A	0000086	biological_process	G2/M transition of mitotic cell cycle
A	0000122	biological_process	negative regulation of transcription by RNA polymerase II
A	0000287	molecular_function	magnesium ion binding
A	0000307	cellular_component	cyclin-dependent protein kinase holoenzyme complex
A	0000781	cellular_component	chromosome, telomeric region
A	0000793	cellular_component	condensed chromosome
A	0000805	cellular_component	X chromosome
A	0000806	cellular_component	Y chromosome
A	0001673	cellular_component	male germ cell nucleus
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0004693	molecular_function	cyclin-dependent protein serine/threonine kinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005634	cellular_component	nucleus
A	0005635	cellular_component	nuclear envelope
A	0005654	cellular_component	nucleoplasm
A	0005667	cellular_component	transcription regulator complex
A	0005737	cellular_component	cytoplasm
A	0005768	cellular_component	endosome
A	0005813	cellular_component	centrosome
A	0005829	cellular_component	cytosol
A	0005856	cellular_component	cytoskeleton
A	0006260	biological_process	DNA replication
A	0006281	biological_process	DNA repair
A	0006338	biological_process	chromatin remodeling
A	0006351	biological_process	DNA-templated transcription
A	0006468	biological_process	protein phosphorylation
A	0006813	biological_process	potassium ion transport
A	0007099	biological_process	centriole replication
A	0007165	biological_process	signal transduction
A	0007265	biological_process	Ras protein signal transduction
A	0007346	biological_process	regulation of mitotic cell cycle
A	0008284	biological_process	positive regulation of cell population proliferation
A	0010389	biological_process	regulation of G2/M transition of mitotic cell cycle
A	0010468	biological_process	regulation of gene expression
A	0015030	cellular_component	Cajal body
A	0016301	molecular_function	kinase activity
A	0018105	biological_process	peptidyl-serine phosphorylation
A	0019904	molecular_function	protein domain specific binding
A	0030332	molecular_function	cyclin binding
A	0031453	biological_process	positive regulation of heterochromatin formation
A	0031571	biological_process	mitotic G1 DNA damage checkpoint signaling
A	0032298	biological_process	positive regulation of DNA-templated DNA replication initiation
A	0035173	molecular_function	histone kinase activity
A	0043247	biological_process	telomere maintenance in response to DNA damage
A	0043687	biological_process	post-translational protein modification
A	0045740	biological_process	positive regulation of DNA replication
A	0045893	biological_process	positive regulation of DNA-templated transcription
A	0046872	molecular_function	metal ion binding
A	0051298	biological_process	centrosome duplication
A	0051301	biological_process	cell division
A	0051321	biological_process	meiotic cell cycle
A	0071732	biological_process	cellular response to nitric oxide
A	0090398	biological_process	cellular senescence
A	0097123	cellular_component	cyclin A1-CDK2 complex
A	0097124	cellular_component	cyclin A2-CDK2 complex
A	0097134	cellular_component	cyclin E1-CDK2 complex
A	0097135	cellular_component	cyclin E2-CDK2 complex
A	0097472	molecular_function	cyclin-dependent protein kinase activity
A	0106310	molecular_function	protein serine kinase activity
A	1905784	biological_process	regulation of anaphase-promoting complex-dependent catabolic process
B	0016538	molecular_function	cyclin-dependent protein serine/threonine kinase regulator activity
B	0044772	biological_process	mitotic cell cycle phase transition
C	0000082	biological_process	G1/S transition of mitotic cell cycle
C	0000086	biological_process	G2/M transition of mitotic cell cycle
C	0000122	biological_process	negative regulation of transcription by RNA polymerase II
C	0000287	molecular_function	magnesium ion binding
C	0000307	cellular_component	cyclin-dependent protein kinase holoenzyme complex
C	0000781	cellular_component	chromosome, telomeric region
C	0000793	cellular_component	condensed chromosome
C	0000805	cellular_component	X chromosome
C	0000806	cellular_component	Y chromosome
C	0001673	cellular_component	male germ cell nucleus
C	0004672	molecular_function	protein kinase activity
C	0004674	molecular_function	protein serine/threonine kinase activity
C	0004693	molecular_function	cyclin-dependent protein serine/threonine kinase activity
C	0005515	molecular_function	protein binding
C	0005524	molecular_function	ATP binding
C	0005634	cellular_component	nucleus
C	0005635	cellular_component	nuclear envelope
C	0005654	cellular_component	nucleoplasm
C	0005667	cellular_component	transcription regulator complex
C	0005737	cellular_component	cytoplasm
C	0005768	cellular_component	endosome
C	0005813	cellular_component	centrosome
C	0005829	cellular_component	cytosol
C	0005856	cellular_component	cytoskeleton
C	0006260	biological_process	DNA replication
C	0006281	biological_process	DNA repair
C	0006338	biological_process	chromatin remodeling
C	0006351	biological_process	DNA-templated transcription
C	0006468	biological_process	protein phosphorylation
C	0006813	biological_process	potassium ion transport
C	0007099	biological_process	centriole replication
C	0007165	biological_process	signal transduction
C	0007265	biological_process	Ras protein signal transduction
C	0007346	biological_process	regulation of mitotic cell cycle
C	0008284	biological_process	positive regulation of cell population proliferation
C	0010389	biological_process	regulation of G2/M transition of mitotic cell cycle
C	0010468	biological_process	regulation of gene expression
C	0015030	cellular_component	Cajal body
C	0016301	molecular_function	kinase activity
C	0018105	biological_process	peptidyl-serine phosphorylation
C	0019904	molecular_function	protein domain specific binding
C	0030332	molecular_function	cyclin binding
C	0031453	biological_process	positive regulation of heterochromatin formation
C	0031571	biological_process	mitotic G1 DNA damage checkpoint signaling
C	0032298	biological_process	positive regulation of DNA-templated DNA replication initiation
C	0035173	molecular_function	histone kinase activity
C	0043247	biological_process	telomere maintenance in response to DNA damage
C	0043687	biological_process	post-translational protein modification
C	0045740	biological_process	positive regulation of DNA replication
C	0045893	biological_process	positive regulation of DNA-templated transcription
C	0046872	molecular_function	metal ion binding
C	0051298	biological_process	centrosome duplication
C	0051301	biological_process	cell division
C	0051321	biological_process	meiotic cell cycle
C	0071732	biological_process	cellular response to nitric oxide
C	0090398	biological_process	cellular senescence
C	0097123	cellular_component	cyclin A1-CDK2 complex
C	0097124	cellular_component	cyclin A2-CDK2 complex
C	0097134	cellular_component	cyclin E1-CDK2 complex
C	0097135	cellular_component	cyclin E2-CDK2 complex
C	0097472	molecular_function	cyclin-dependent protein kinase activity
C	0106310	molecular_function	protein serine kinase activity
C	1905784	biological_process	regulation of anaphase-promoting complex-dependent catabolic process
D	0016538	molecular_function	cyclin-dependent protein serine/threonine kinase regulator activity
D	0044772	biological_process	mitotic cell cycle phase transition

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue K4W A 301

Chain	Residue
A	GLU8
A	GLN85
A	ASN132
A	LEU134
A	ASP145
A	HOH406
A	ILE10
A	GLU12
A	VAL18
A	ALA31
A	GLU81
A	PHE82
A	LEU83
A	HIS84

site_id	AC2
Number of Residues	1
Details	binding site for residue NA A 302

Chain	Residue
A	TYR269

site_id	AC3
Number of Residues	3
Details	binding site for residue NA B 501

Chain	Residue
B	MET200
B	GLN203
B	ILE206

site_id	AC4
Number of Residues	4
Details	binding site for residue GOL B 502

Chain	Residue
B	HIS183
B	LYS379
B	THR380
B	HOH614

site_id	AC5
Number of Residues	2
Details	binding site for residue GOL B 503

Chain	Residue
B	HIS321
B	GLN323

site_id	AC6
Number of Residues	13
Details	binding site for residue K4W C 301

Chain	Residue
C	GLU8
C	ILE10
C	VAL18
C	ALA31
C	PHE80
C	GLU81
C	LEU83
C	HIS84
C	LYS89
C	ASN132
C	LEU134
C	ASP145
C	HOH402

site_id	AC7
Number of Residues	2
Details	binding site for residue NA C 302

Chain	Residue
C	TYR269
C	HOH420

site_id	AC8
Number of Residues	6
Details	binding site for residue GOL C 303

Chain	Residue
C	PRO155
C	VAL156
C	SER181
C	HOH413
C	HOH419
D	TYR178

site_id	AC9
Number of Residues	3
Details	binding site for residue NA D 501

Chain	Residue
D	MET200
D	GLN203
D	ILE206

site_id	AD1
Number of Residues	3
Details	binding site for residue GOL D 502

Chain	Residue
D	HIS183
D	LYS379
D	THR380

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE10-LYS33

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

Chain	Residue	Details
A	VAL123-ILE135

site_id	PS00292
Number of Residues	32
Details	CYCLINS Cyclins signature. RaiLvdWLvevgeeykLqnetLhlAVnYIDRF

Chain	Residue	Details
B	ARG211-PHE242

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	ASP127
C	ASP127

site_id	SWS_FT_FI2
Number of Residues	10
Details	BINDING: BINDING => ECO:0000255\|PROSITE-ProRule:PRU00159, ECO:0000269\|PubMed:17095507, ECO:0000269\|PubMed:21565702

Chain	Residue	Details
A	ILE10
C	LYS129
A	LYS33
A	GLU81
A	ASP86
A	LYS129
C	ILE10
C	LYS33
C	GLU81
C	ASP86

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269\|PubMed:21565702

Chain	Residue	Details
A	ASN132
A	ASP145
C	ASN132
C	ASP145

site_id	SWS_FT_FI4
Number of Residues	6
Details	SITE: CDK7 binding => ECO:0000269\|PubMed:17373709

Chain	Residue	Details
A	LYS9
A	LYS88
A	LEU166
C	LYS9
C	LYS88
C	LEU166

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: N-acetylmethionine => ECO:0007744\|PubMed:22814378

Chain	Residue	Details
A	MET1
C	MET1

site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0007744\|PubMed:19608861

Chain	Residue	Details
A	LYS6
C	LYS6

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: Phosphothreonine => ECO:0000269\|PubMed:1396589, ECO:0000269\|PubMed:17095507

Chain	Residue	Details
A	THR14
C	THR14

site_id	SWS_FT_FI8
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by WEE1 => ECO:0000269\|PubMed:1396589, ECO:0000269\|PubMed:17095507, ECO:0007744\|PubMed:19690332

Chain	Residue	Details
A	TYR15
C	TYR15

site_id	SWS_FT_FI9
Number of Residues	2
Details	MOD_RES: Phosphotyrosine => ECO:0007744\|PubMed:19369195

Chain	Residue	Details
A	TYR19
C	TYR19

site_id	SWS_FT_FI10
Number of Residues	2
Details	MOD_RES: Phosphothreonine; by CAK and CCRK => ECO:0000269\|PubMed:1396589, ECO:0000269\|PubMed:14597612, ECO:0000269\|PubMed:16325401, ECO:0000269\|PubMed:17095507, ECO:0000269\|PubMed:17570665, ECO:0000269\|PubMed:20147522, ECO:0000269\|PubMed:20360007, ECO:0000269\|PubMed:21565702, ECO:0000305\|PubMed:28666995

Chain	Residue	Details
A	TPO160
C	TPO160

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)