Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1JU6

Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
A	0004799	molecular_function	thymidylate synthase activity
A	0005515	molecular_function	protein binding
A	0005542	molecular_function	folic acid binding
A	0005634	cellular_component	nucleus
A	0005657	cellular_component	replication fork
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005743	cellular_component	mitochondrial inner membrane
A	0005759	cellular_component	mitochondrial matrix
A	0005829	cellular_component	cytosol
A	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
A	0006231	biological_process	dTMP biosynthetic process
A	0006235	biological_process	dTTP biosynthetic process
A	0006260	biological_process	DNA replication
A	0008168	molecular_function	methyltransferase activity
A	0009165	biological_process	nucleotide biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016741	molecular_function	transferase activity, transferring one-carbon groups
A	0017148	biological_process	negative regulation of translation
A	0032259	biological_process	methylation
A	0035999	biological_process	tetrahydrofolate interconversion
A	0046653	biological_process	tetrahydrofolate metabolic process
A	0071897	biological_process	DNA biosynthetic process
A	1990825	molecular_function	sequence-specific mRNA binding
B	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
B	0004799	molecular_function	thymidylate synthase activity
B	0005515	molecular_function	protein binding
B	0005542	molecular_function	folic acid binding
B	0005634	cellular_component	nucleus
B	0005657	cellular_component	replication fork
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005743	cellular_component	mitochondrial inner membrane
B	0005759	cellular_component	mitochondrial matrix
B	0005829	cellular_component	cytosol
B	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
B	0006231	biological_process	dTMP biosynthetic process
B	0006235	biological_process	dTTP biosynthetic process
B	0006260	biological_process	DNA replication
B	0008168	molecular_function	methyltransferase activity
B	0009165	biological_process	nucleotide biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016741	molecular_function	transferase activity, transferring one-carbon groups
B	0017148	biological_process	negative regulation of translation
B	0032259	biological_process	methylation
B	0035999	biological_process	tetrahydrofolate interconversion
B	0046653	biological_process	tetrahydrofolate metabolic process
B	0071897	biological_process	DNA biosynthetic process
B	1990825	molecular_function	sequence-specific mRNA binding
C	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
C	0004799	molecular_function	thymidylate synthase activity
C	0005515	molecular_function	protein binding
C	0005542	molecular_function	folic acid binding
C	0005634	cellular_component	nucleus
C	0005657	cellular_component	replication fork
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005743	cellular_component	mitochondrial inner membrane
C	0005759	cellular_component	mitochondrial matrix
C	0005829	cellular_component	cytosol
C	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
C	0006231	biological_process	dTMP biosynthetic process
C	0006235	biological_process	dTTP biosynthetic process
C	0006260	biological_process	DNA replication
C	0008168	molecular_function	methyltransferase activity
C	0009165	biological_process	nucleotide biosynthetic process
C	0016740	molecular_function	transferase activity
C	0016741	molecular_function	transferase activity, transferring one-carbon groups
C	0017148	biological_process	negative regulation of translation
C	0032259	biological_process	methylation
C	0035999	biological_process	tetrahydrofolate interconversion
C	0046653	biological_process	tetrahydrofolate metabolic process
C	0071897	biological_process	DNA biosynthetic process
C	1990825	molecular_function	sequence-specific mRNA binding
D	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
D	0004799	molecular_function	thymidylate synthase activity
D	0005515	molecular_function	protein binding
D	0005542	molecular_function	folic acid binding
D	0005634	cellular_component	nucleus
D	0005657	cellular_component	replication fork
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005743	cellular_component	mitochondrial inner membrane
D	0005759	cellular_component	mitochondrial matrix
D	0005829	cellular_component	cytosol
D	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
D	0006231	biological_process	dTMP biosynthetic process
D	0006235	biological_process	dTTP biosynthetic process
D	0006260	biological_process	DNA replication
D	0008168	molecular_function	methyltransferase activity
D	0009165	biological_process	nucleotide biosynthetic process
D	0016740	molecular_function	transferase activity
D	0016741	molecular_function	transferase activity, transferring one-carbon groups
D	0017148	biological_process	negative regulation of translation
D	0032259	biological_process	methylation
D	0035999	biological_process	tetrahydrofolate interconversion
D	0046653	biological_process	tetrahydrofolate metabolic process
D	0071897	biological_process	DNA biosynthetic process
D	1990825	molecular_function	sequence-specific mRNA binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 A 316

Chain	Residue
A	GLN156
A	GLY157
B	ARG185
C	GLY155
C	GLN156
C	GLY157
D	ARG185

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP A 314

Chain	Residue
A	CYS195
A	HIS196
A	GLN214
A	ARG215
A	SER216
A	ASP218
A	ASN226
A	HIS256
A	TYR258
A	LYA317
A	HOH404
B	ARG175
B	ARG176
A	ARG50
A	LEU192

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE LYA A 317

Chain	Residue
A	PHE80
A	TRP109
A	ASN112
A	ASP218
A	GLY222
A	PHE225
A	MET311
A	ALA312
A	UMP314
A	HOH411

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE UMP B 314

Chain	Residue
A	ARG175
A	ARG176
B	ARG50
B	TYR135
B	LEU192
B	CYS195
B	HIS196
B	GLN214
B	ARG215
B	SER216
B	ASP218
B	GLY222
B	ASN226
B	HIS256
B	TYR258
B	LYA315
B	HOH416

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE LYA B 315

Chain	Residue
B	PHE80
B	ILE108
B	TRP109
B	ASN112
B	ASP218
B	LEU221
B	GLY222
B	MET311
B	ALA312
B	UMP314

site_id	AC6
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP C 314

Chain	Residue
C	ARG50
C	CYS195
C	HIS196
C	GLN214
C	ARG215
C	SER216
C	ASP218
C	GLY222
C	ASN226
C	HIS256
C	TYR258
C	LYA315
C	HOH428
D	ARG175
D	ARG176

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE LYA C 315

Chain	Residue
C	PHE80
C	ILE108
C	ASN112
C	ASP218
C	GLY222
C	MET311
C	ALA312
C	UMP314
C	HOH435

site_id	AC8
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP D 314

Chain	Residue
C	ARG175
C	ARG176
D	ARG50
D	TYR135
D	LEU192
D	CYS195
D	HIS196
D	GLN214
D	ARG215
D	SER216
D	ASP218
D	ASN226
D	HIS256
D	TYR258
D	LYA315

site_id	AC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE LYA D 315

Chain	Residue
D	ILE108
D	ASN112
D	ASP218
D	LEU221
D	GLY222
D	TYR258
D	MET311
D	ALA312
D	UMP314
D	HOH443
D	PHE80

Functional Information from PROSITE/UniProt

site_id	PS00091
Number of Residues	29
Details	THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriImcaWNprdlplma.....LpPCHalcQFyV

Chain	Residue	Details
A	ARG175-VAL203

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"UniProtKB","id":"P0A884","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	8
Details	Binding site: {"description":"in other chain","evidences":[{"source":"UniProtKB","id":"P0A884","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P45352","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	24
Details	Binding site: {"description":"in other chain","evidences":[{"source":"UniProtKB","id":"P45352","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P0A884","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	16
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	6
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
A	ASP254
A	SER216
A	CYS195
A	ASP218
A	GLU87
A	HIS256

site_id	CSA2
Number of Residues	6
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
B	ASP254
B	SER216
B	CYS195
B	ASP218
B	GLU87
B	HIS256

site_id	CSA3
Number of Residues	6
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
C	ASP254
C	SER216
C	CYS195
C	ASP218
C	GLU87
C	HIS256

site_id	CSA4
Number of Residues	6
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
D	ASP254
D	SER216
D	CYS195
D	ASP218
D	GLU87
D	HIS256

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
A	ASN226
A	SER229
A	CYS195

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
B	ASN226
B	SER229
B	CYS195

site_id	CSA7
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
C	ASN226
C	SER229
C	CYS195

site_id	CSA8
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
D	ASN226
D	SER229
D	CYS195

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