Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6QXH

Crystal structure of His-tag human thymidylate synthase (HT-hTS) in complex with dUMP

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	binding site for residue UMP A 401

Chain	Residue
A	ARG50
A	HIS256
A	TYR258
A	PEG402
A	HOH513
B	ARG175
B	ARG176
A	CYS195
A	HIS196
A	GLN214
A	ARG215
A	SER216
A	ASP218
A	GLY222
A	ASN226

site_id	AC2
Number of Residues	2
Details	binding site for residue PEG A 402

Chain	Residue
A	ASP218
A	UMP401

site_id	AC3
Number of Residues	2
Details	binding site for residue CL A 403

Chain	Residue
A	VAL79
A	PHE80

site_id	AC4
Number of Residues	15
Details	binding site for residue UMP B 401

Chain	Residue
A	ARG175
A	ARG176
B	ARG50
B	CYS195
B	HIS196
B	GLN214
B	ARG215
B	SER216
B	GLY217
B	ASP218
B	GLY222
B	ASN226
B	HIS256
B	TYR258
B	HOH503

site_id	AC5
Number of Residues	14
Details	binding site for residue UMP C 401

Chain	Residue
C	ARG50
C	ARG175
C	ARG176
C	CYS195
C	HIS196
C	GLN214
C	ARG215
C	SER216
C	GLY217
C	ASP218
C	ASN226
C	HIS256
C	TYR258
C	HOH519

site_id	AC6
Number of Residues	5
Details	binding site for residue SO4 C 402

Chain	Residue
A	ARG176
B	ARG50
C	ARG78
C	PRO305
C	THR306

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	3
Details	ACT_SITE: Nucleophile => ECO:0000250\|UniProtKB:P0A884

Chain	Residue	Details
A	CYS195
B	CYS195
C	CYS195

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: in other chain => ECO:0000250\|UniProtKB:P0A884

Chain	Residue	Details
A	ARG50
A	ASN226
B	ARG50
B	ASN226
C	ARG50
C	ASN226

site_id	SWS_FT_FI3
Number of Residues	3
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P45352

Chain	Residue	Details
A	ARG175
B	ARG175
C	ARG175

site_id	SWS_FT_FI4
Number of Residues	9
Details	BINDING: in other chain => ECO:0000250\|UniProtKB:P45352

Chain	Residue	Details
A	CYS195
A	ARG215
A	HIS256
B	CYS195
B	ARG215
B	HIS256
C	CYS195
C	ARG215
C	HIS256

site_id	SWS_FT_FI5
Number of Residues	6
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P0A884

Chain	Residue	Details
A	ASP218
A	ALA312
B	ASP218
B	ALA312
C	ASP218
C	ALA312

site_id	SWS_FT_FI6
Number of Residues	3
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:19690332, ECO:0007744\|PubMed:23186163

Chain	Residue	Details
A	SER114
B	SER114
C	SER114

site_id	SWS_FT_FI7
Number of Residues	12
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
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)