Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5HS3

Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
A	0003729	molecular_function	mRNA binding
A	0004799	molecular_function	thymidylate synthase activity
A	0005542	molecular_function	folic acid binding
A	0005634	cellular_component	nucleus
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	0006206	biological_process	pyrimidine nucleobase metabolic process
A	0006231	biological_process	dTMP biosynthetic process
A	0006235	biological_process	dTTP biosynthetic process
A	0006417	biological_process	regulation of translation
A	0007623	biological_process	circadian rhythm
A	0008168	molecular_function	methyltransferase activity
A	0009165	biological_process	nucleotide biosynthetic process
A	0009410	biological_process	response to xenobiotic stimulus
A	0009636	biological_process	response to toxic substance
A	0014070	biological_process	response to organic cyclic compound
A	0016741	molecular_function	transferase activity, transferring one-carbon groups
A	0017148	biological_process	negative regulation of translation
A	0019860	biological_process	uracil metabolic process
A	0032259	biological_process	methylation
A	0032570	biological_process	response to progesterone
A	0033189	biological_process	response to vitamin A
A	0034097	biological_process	response to cytokine
A	0035999	biological_process	tetrahydrofolate interconversion
A	0042803	molecular_function	protein homodimerization activity
A	0045471	biological_process	response to ethanol
A	0046653	biological_process	tetrahydrofolate metabolic process
A	0046683	biological_process	response to organophosphorus
A	0048589	biological_process	developmental growth
A	0051216	biological_process	cartilage development
A	0051384	biological_process	response to glucocorticoid
A	0051593	biological_process	response to folic acid
A	0060574	biological_process	intestinal epithelial cell maturation
A	0071897	biological_process	DNA biosynthetic process
A	0097421	biological_process	liver regeneration
A	1901363	molecular_function	heterocyclic compound binding
A	1990825	molecular_function	sequence-specific mRNA binding
B	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
B	0003729	molecular_function	mRNA binding
B	0004799	molecular_function	thymidylate synthase activity
B	0005542	molecular_function	folic acid binding
B	0005634	cellular_component	nucleus
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	0006206	biological_process	pyrimidine nucleobase metabolic process
B	0006231	biological_process	dTMP biosynthetic process
B	0006235	biological_process	dTTP biosynthetic process
B	0006417	biological_process	regulation of translation
B	0007623	biological_process	circadian rhythm
B	0008168	molecular_function	methyltransferase activity
B	0009165	biological_process	nucleotide biosynthetic process
B	0009410	biological_process	response to xenobiotic stimulus
B	0009636	biological_process	response to toxic substance
B	0014070	biological_process	response to organic cyclic compound
B	0016741	molecular_function	transferase activity, transferring one-carbon groups
B	0017148	biological_process	negative regulation of translation
B	0019860	biological_process	uracil metabolic process
B	0032259	biological_process	methylation
B	0032570	biological_process	response to progesterone
B	0033189	biological_process	response to vitamin A
B	0034097	biological_process	response to cytokine
B	0035999	biological_process	tetrahydrofolate interconversion
B	0042803	molecular_function	protein homodimerization activity
B	0045471	biological_process	response to ethanol
B	0046653	biological_process	tetrahydrofolate metabolic process
B	0046683	biological_process	response to organophosphorus
B	0048589	biological_process	developmental growth
B	0051216	biological_process	cartilage development
B	0051384	biological_process	response to glucocorticoid
B	0051593	biological_process	response to folic acid
B	0060574	biological_process	intestinal epithelial cell maturation
B	0071897	biological_process	DNA biosynthetic process
B	0097421	biological_process	liver regeneration
B	1901363	molecular_function	heterocyclic compound binding
B	1990825	molecular_function	sequence-specific mRNA binding
C	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
C	0003729	molecular_function	mRNA binding
C	0004799	molecular_function	thymidylate synthase activity
C	0005542	molecular_function	folic acid binding
C	0005634	cellular_component	nucleus
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	0006206	biological_process	pyrimidine nucleobase metabolic process
C	0006231	biological_process	dTMP biosynthetic process
C	0006235	biological_process	dTTP biosynthetic process
C	0006417	biological_process	regulation of translation
C	0007623	biological_process	circadian rhythm
C	0008168	molecular_function	methyltransferase activity
C	0009165	biological_process	nucleotide biosynthetic process
C	0009410	biological_process	response to xenobiotic stimulus
C	0009636	biological_process	response to toxic substance
C	0014070	biological_process	response to organic cyclic compound
C	0016741	molecular_function	transferase activity, transferring one-carbon groups
C	0017148	biological_process	negative regulation of translation
C	0019860	biological_process	uracil metabolic process
C	0032259	biological_process	methylation
C	0032570	biological_process	response to progesterone
C	0033189	biological_process	response to vitamin A
C	0034097	biological_process	response to cytokine
C	0035999	biological_process	tetrahydrofolate interconversion
C	0042803	molecular_function	protein homodimerization activity
C	0045471	biological_process	response to ethanol
C	0046653	biological_process	tetrahydrofolate metabolic process
C	0046683	biological_process	response to organophosphorus
C	0048589	biological_process	developmental growth
C	0051216	biological_process	cartilage development
C	0051384	biological_process	response to glucocorticoid
C	0051593	biological_process	response to folic acid
C	0060574	biological_process	intestinal epithelial cell maturation
C	0071897	biological_process	DNA biosynthetic process
C	0097421	biological_process	liver regeneration
C	1901363	molecular_function	heterocyclic compound binding
C	1990825	molecular_function	sequence-specific mRNA binding
D	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
D	0003729	molecular_function	mRNA binding
D	0004799	molecular_function	thymidylate synthase activity
D	0005542	molecular_function	folic acid binding
D	0005634	cellular_component	nucleus
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	0006206	biological_process	pyrimidine nucleobase metabolic process
D	0006231	biological_process	dTMP biosynthetic process
D	0006235	biological_process	dTTP biosynthetic process
D	0006417	biological_process	regulation of translation
D	0007623	biological_process	circadian rhythm
D	0008168	molecular_function	methyltransferase activity
D	0009165	biological_process	nucleotide biosynthetic process
D	0009410	biological_process	response to xenobiotic stimulus
D	0009636	biological_process	response to toxic substance
D	0014070	biological_process	response to organic cyclic compound
D	0016741	molecular_function	transferase activity, transferring one-carbon groups
D	0017148	biological_process	negative regulation of translation
D	0019860	biological_process	uracil metabolic process
D	0032259	biological_process	methylation
D	0032570	biological_process	response to progesterone
D	0033189	biological_process	response to vitamin A
D	0034097	biological_process	response to cytokine
D	0035999	biological_process	tetrahydrofolate interconversion
D	0042803	molecular_function	protein homodimerization activity
D	0045471	biological_process	response to ethanol
D	0046653	biological_process	tetrahydrofolate metabolic process
D	0046683	biological_process	response to organophosphorus
D	0048589	biological_process	developmental growth
D	0051216	biological_process	cartilage development
D	0051384	biological_process	response to glucocorticoid
D	0051593	biological_process	response to folic acid
D	0060574	biological_process	intestinal epithelial cell maturation
D	0071897	biological_process	DNA biosynthetic process
D	0097421	biological_process	liver regeneration
D	1901363	molecular_function	heterocyclic compound binding
D	1990825	molecular_function	sequence-specific mRNA binding
E	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
E	0003729	molecular_function	mRNA binding
E	0004799	molecular_function	thymidylate synthase activity
E	0005542	molecular_function	folic acid binding
E	0005634	cellular_component	nucleus
E	0005737	cellular_component	cytoplasm
E	0005739	cellular_component	mitochondrion
E	0005743	cellular_component	mitochondrial inner membrane
E	0005759	cellular_component	mitochondrial matrix
E	0005829	cellular_component	cytosol
E	0006206	biological_process	pyrimidine nucleobase metabolic process
E	0006231	biological_process	dTMP biosynthetic process
E	0006235	biological_process	dTTP biosynthetic process
E	0006417	biological_process	regulation of translation
E	0007623	biological_process	circadian rhythm
E	0008168	molecular_function	methyltransferase activity
E	0009165	biological_process	nucleotide biosynthetic process
E	0009410	biological_process	response to xenobiotic stimulus
E	0009636	biological_process	response to toxic substance
E	0014070	biological_process	response to organic cyclic compound
E	0016741	molecular_function	transferase activity, transferring one-carbon groups
E	0017148	biological_process	negative regulation of translation
E	0019860	biological_process	uracil metabolic process
E	0032259	biological_process	methylation
E	0032570	biological_process	response to progesterone
E	0033189	biological_process	response to vitamin A
E	0034097	biological_process	response to cytokine
E	0035999	biological_process	tetrahydrofolate interconversion
E	0042803	molecular_function	protein homodimerization activity
E	0045471	biological_process	response to ethanol
E	0046653	biological_process	tetrahydrofolate metabolic process
E	0046683	biological_process	response to organophosphorus
E	0048589	biological_process	developmental growth
E	0051216	biological_process	cartilage development
E	0051384	biological_process	response to glucocorticoid
E	0051593	biological_process	response to folic acid
E	0060574	biological_process	intestinal epithelial cell maturation
E	0071897	biological_process	DNA biosynthetic process
E	0097421	biological_process	liver regeneration
E	1901363	molecular_function	heterocyclic compound binding
E	1990825	molecular_function	sequence-specific mRNA binding
F	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
F	0003729	molecular_function	mRNA binding
F	0004799	molecular_function	thymidylate synthase activity
F	0005542	molecular_function	folic acid binding
F	0005634	cellular_component	nucleus
F	0005737	cellular_component	cytoplasm
F	0005739	cellular_component	mitochondrion
F	0005743	cellular_component	mitochondrial inner membrane
F	0005759	cellular_component	mitochondrial matrix
F	0005829	cellular_component	cytosol
F	0006206	biological_process	pyrimidine nucleobase metabolic process
F	0006231	biological_process	dTMP biosynthetic process
F	0006235	biological_process	dTTP biosynthetic process
F	0006417	biological_process	regulation of translation
F	0007623	biological_process	circadian rhythm
F	0008168	molecular_function	methyltransferase activity
F	0009165	biological_process	nucleotide biosynthetic process
F	0009410	biological_process	response to xenobiotic stimulus
F	0009636	biological_process	response to toxic substance
F	0014070	biological_process	response to organic cyclic compound
F	0016741	molecular_function	transferase activity, transferring one-carbon groups
F	0017148	biological_process	negative regulation of translation
F	0019860	biological_process	uracil metabolic process
F	0032259	biological_process	methylation
F	0032570	biological_process	response to progesterone
F	0033189	biological_process	response to vitamin A
F	0034097	biological_process	response to cytokine
F	0035999	biological_process	tetrahydrofolate interconversion
F	0042803	molecular_function	protein homodimerization activity
F	0045471	biological_process	response to ethanol
F	0046653	biological_process	tetrahydrofolate metabolic process
F	0046683	biological_process	response to organophosphorus
F	0048589	biological_process	developmental growth
F	0051216	biological_process	cartilage development
F	0051384	biological_process	response to glucocorticoid
F	0051593	biological_process	response to folic acid
F	0060574	biological_process	intestinal epithelial cell maturation
F	0071897	biological_process	DNA biosynthetic process
F	0097421	biological_process	liver regeneration
F	1901363	molecular_function	heterocyclic compound binding
F	1990825	molecular_function	sequence-specific mRNA binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue UMP A 400

Chain	Residue
A	ARG50
D	ARG175
D	ARG176
A	CYS195
A	ARG215
A	SER216
A	ASP218
A	ASN226
A	HIS256
A	TYR258
A	KI3401

site_id	AC2
Number of Residues	11
Details	binding site for residue KI3 A 401

Chain	Residue
A	ARG50
A	GLU87
A	ILE108
A	TRP109
A	ASN112
A	ASP218
A	GLY222
A	PHE225
A	ALA312
A	VAL313
A	UMP400

site_id	AC3
Number of Residues	12
Details	binding site for residue UMP B 400

Chain	Residue
B	ARG50
B	CYS195
B	HIS196
B	ARG215
B	SER216
B	ASP218
B	ASN226
B	HIS256
B	TYR258
B	KI3401
E	ARG175
E	ARG176

site_id	AC4
Number of Residues	11
Details	binding site for residue KI3 B 401

Chain	Residue
B	ARG50
B	GLU87
B	ILE108
B	TRP109
B	ASN112
B	ASP218
B	GLY222
B	PHE225
B	MET311
B	ALA312
B	UMP400

site_id	AC5
Number of Residues	13
Details	binding site for residue UMP C 400

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

site_id	AC6
Number of Residues	12
Details	binding site for residue UMP D 400

Chain	Residue
A	ARG175
A	ARG176
D	CYS195
D	HIS196
D	GLN214
D	ARG215
D	SER216
D	GLY217
D	ASP218
D	ASN226
D	HIS256
D	TYR258

site_id	AC7
Number of Residues	13
Details	binding site for residue UMP E 400

Chain	Residue
B	ARG175
B	ARG176
E	ARG50
E	CYS195
E	HIS196
E	GLN214
E	ARG215
E	SER216
E	GLY217
E	ASN226
E	HIS256
E	TYR258
E	KI3401

site_id	AC8
Number of Residues	9
Details	binding site for residue KI3 E 401

Chain	Residue
E	ARG50
E	GLU87
E	ILE108
E	TRP109
E	ASN112
E	GLY222
E	PHE225
E	ASN226
E	UMP400

site_id	AC9
Number of Residues	11
Details	binding site for residue UMP F 400

Chain	Residue
F	ASP218
F	ASN226
F	HIS256
F	TYR258
C	ARG175
C	ARG176
F	CYS195
F	HIS196
F	GLN214
F	ARG215
F	SER216

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	6
Details	ACT_SITE: Nucleophile => ECO:0000250\|UniProtKB:P0A884

Chain	Residue	Details
A	CYS195
B	CYS195
C	CYS195
D	CYS195
E	CYS195
F	CYS195

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: in other chain => ECO:0000250\|UniProtKB:P0A884

Chain	Residue	Details
A	ARG50
E	ASN226
F	ARG50
F	ASN226
A	ASN226
B	ARG50
B	ASN226
C	ARG50
C	ASN226
D	ARG50
D	ASN226
E	ARG50

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P45352

Chain	Residue	Details
A	ARG175
B	ARG175
C	ARG175
D	ARG175
E	ARG175
F	ARG175

site_id	SWS_FT_FI4
Number of Residues	18
Details	BINDING: in other chain => ECO:0000250\|UniProtKB:P45352

Chain	Residue	Details
A	CYS195
D	CYS195
D	ARG215
D	HIS256
E	CYS195
E	ARG215
E	HIS256
F	CYS195
F	ARG215
F	HIS256
A	ARG215
A	HIS256
B	CYS195
B	ARG215
B	HIS256
C	CYS195
C	ARG215
C	HIS256

site_id	SWS_FT_FI5
Number of Residues	12
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P0A884

Chain	Residue	Details
A	ASP218
E	ALA312
F	ASP218
F	ALA312
A	ALA312
B	ASP218
B	ALA312
C	ASP218
C	ALA312
D	ASP218
D	ALA312
E	ASP218

site_id	SWS_FT_FI6
Number of Residues	6
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:19690332, ECO:0007744\|PubMed:23186163

Chain	Residue	Details
A	SER114
B	SER114
C	SER114
D	SER114
E	SER114
F	SER114

site_id	SWS_FT_FI7
Number of Residues	24
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744\|PubMed:28112733

Chain	Residue	Details
A	LYS287
C	LYS292
C	LYS308
D	LYS287
D	LYS292
D	LYS308
E	LYS287
E	LYS292
E	LYS308
F	LYS287
F	LYS292
F	LYS308
A	LYS292
A	LYS308
B	LYS287
B	LYS292
B	LYS308
C	LYS287

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