Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1HVY

Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation

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	18
Details	BINDING SITE FOR RESIDUE D16 A 414

Chain	Residue
A	PHE80
A	MET311
A	ALA312
A	UMP314
A	HOH435
A	HOH477
A	HOH548
A	HOH980
A	HOH985
A	HOH1017
A	GLU87
A	ILE108
A	TRP109
A	ASP218
A	LEU221
A	GLY222
A	PHE225
A	TYR258

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE D16 B 415

Chain	Residue
B	GLU87
B	ILE108
B	TRP109
B	ASN112
B	ASP218
B	LEU221
B	GLY222
B	PHE225
B	TYR258
B	LYS308
B	MET311
B	ALA312
B	UMP315
B	HOH589
B	HOH648
B	HOH789

site_id	AC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE D16 C 416

Chain	Residue
C	PHE80
C	GLU87
C	ILE108
C	TRP109
C	ASP218
C	LEU221
C	GLY222
C	PHE225
C	TYR258
C	MET311
C	UMP316
C	HOH586
C	HOH605
C	HOH690
C	HOH848

site_id	AC4
Number of Residues	18
Details	BINDING SITE FOR RESIDUE D16 D 417

Chain	Residue
D	PHE80
D	GLU87
D	ILE108
D	TRP109
D	ASN112
D	ASP218
D	LEU221
D	GLY222
D	PHE225
D	TYR258
D	MET311
D	ALA312
D	UMP317
D	HOH604
D	HOH624
D	HOH678
D	HOH865
D	HOH907

site_id	AC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE UMP A 314

Chain	Residue
A	ARG50
A	LEU192
A	CYS195
A	HIS196
A	GLN214
A	ARG215
A	SER216
A	GLY217
A	ASP218
A	ASN226
A	HIS256
A	TYR258
A	D16414
A	HOH485
B	ARG175
B	ARG176

site_id	AC6
Number of Residues	18
Details	BINDING SITE FOR RESIDUE UMP B 315

Chain	Residue
B	HOH504
B	HOH565
A	ARG175
A	ARG176
B	ARG50
B	LEU192
B	CYS195
B	HIS196
B	GLN214
B	ARG215
B	SER216
B	GLY217
B	ASP218
B	ASN226
B	HIS256
B	TYR258
B	D16415
B	HOH496

site_id	AC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP C 316

Chain	Residue
C	ARG50
C	CYS195
C	HIS196
C	GLN214
C	ARG215
C	SER216
C	GLY217
C	ASP218
C	ASN226
C	HIS256
C	TYR258
C	D16416
C	HOH672
D	ARG175
D	ARG176

site_id	AC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE UMP D 317

Chain	Residue
C	ARG175
C	ARG176
D	ARG50
D	TYR135
D	CYS195
D	HIS196
D	GLN214
D	ARG215
D	SER216
D	GLY217
D	ASP218
D	ASN226
D	HIS256
D	TYR258
D	D16417
D	HOH524
D	HOH619

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BME A 1514

Chain	Residue
A	ARG163
A	VAL164
A	THR167
A	ARG176
A	ILE178
A	HOH641
A	HOH997

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME B 1515

Chain	Residue
B	ARG163
B	THR167
B	ASP174
B	ARG176
B	ILE178

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME C 1516

Chain	Residue
C	ARG163
C	THR167
C	ILE178
C	HOH476

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME D 1517

Chain	Residue
D	ARG163
D	THR167
D	ASP174
D	ARG176
D	ILE178

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	4
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)