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1HVY

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

Functional Information from GO Data
ChainGOidnamespacecontents
A0000900molecular_functionmRNA regulatory element binding translation repressor activity
A0003729molecular_functionmRNA binding
A0004799molecular_functionthymidylate synthase activity
A0005542molecular_functionfolic acid binding
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005743cellular_componentmitochondrial inner membrane
A0005759cellular_componentmitochondrial matrix
A0005829cellular_componentcytosol
A0006206biological_processpyrimidine nucleobase metabolic process
A0006231biological_processdTMP biosynthetic process
A0006235biological_processdTTP biosynthetic process
A0006417biological_processregulation of translation
A0007623biological_processcircadian rhythm
A0008168molecular_functionmethyltransferase activity
A0009165biological_processnucleotide biosynthetic process
A0009410biological_processresponse to xenobiotic stimulus
A0009636biological_processresponse to toxic substance
A0014070biological_processresponse to organic cyclic compound
A0016741molecular_functiontransferase activity, transferring one-carbon groups
A0017148biological_processnegative regulation of translation
A0019860biological_processuracil metabolic process
A0032259biological_processmethylation
A0032570biological_processresponse to progesterone
A0033189biological_processresponse to vitamin A
A0034097biological_processresponse to cytokine
A0035999biological_processtetrahydrofolate interconversion
A0042803molecular_functionprotein homodimerization activity
A0045471biological_processresponse to ethanol
A0046653biological_processtetrahydrofolate metabolic process
A0046683biological_processresponse to organophosphorus
A0048589biological_processdevelopmental growth
A0051216biological_processcartilage development
A0051384biological_processresponse to glucocorticoid
A0051593biological_processresponse to folic acid
A0060574biological_processintestinal epithelial cell maturation
A0071897biological_processDNA biosynthetic process
A0097421biological_processliver regeneration
A1901363molecular_functionheterocyclic compound binding
A1990825molecular_functionsequence-specific mRNA binding
B0000900molecular_functionmRNA regulatory element binding translation repressor activity
B0003729molecular_functionmRNA binding
B0004799molecular_functionthymidylate synthase activity
B0005542molecular_functionfolic acid binding
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005743cellular_componentmitochondrial inner membrane
B0005759cellular_componentmitochondrial matrix
B0005829cellular_componentcytosol
B0006206biological_processpyrimidine nucleobase metabolic process
B0006231biological_processdTMP biosynthetic process
B0006235biological_processdTTP biosynthetic process
B0006417biological_processregulation of translation
B0007623biological_processcircadian rhythm
B0008168molecular_functionmethyltransferase activity
B0009165biological_processnucleotide biosynthetic process
B0009410biological_processresponse to xenobiotic stimulus
B0009636biological_processresponse to toxic substance
B0014070biological_processresponse to organic cyclic compound
B0016741molecular_functiontransferase activity, transferring one-carbon groups
B0017148biological_processnegative regulation of translation
B0019860biological_processuracil metabolic process
B0032259biological_processmethylation
B0032570biological_processresponse to progesterone
B0033189biological_processresponse to vitamin A
B0034097biological_processresponse to cytokine
B0035999biological_processtetrahydrofolate interconversion
B0042803molecular_functionprotein homodimerization activity
B0045471biological_processresponse to ethanol
B0046653biological_processtetrahydrofolate metabolic process
B0046683biological_processresponse to organophosphorus
B0048589biological_processdevelopmental growth
B0051216biological_processcartilage development
B0051384biological_processresponse to glucocorticoid
B0051593biological_processresponse to folic acid
B0060574biological_processintestinal epithelial cell maturation
B0071897biological_processDNA biosynthetic process
B0097421biological_processliver regeneration
B1901363molecular_functionheterocyclic compound binding
B1990825molecular_functionsequence-specific mRNA binding
C0000900molecular_functionmRNA regulatory element binding translation repressor activity
C0003729molecular_functionmRNA binding
C0004799molecular_functionthymidylate synthase activity
C0005542molecular_functionfolic acid binding
C0005634cellular_componentnucleus
C0005737cellular_componentcytoplasm
C0005739cellular_componentmitochondrion
C0005743cellular_componentmitochondrial inner membrane
C0005759cellular_componentmitochondrial matrix
C0005829cellular_componentcytosol
C0006206biological_processpyrimidine nucleobase metabolic process
C0006231biological_processdTMP biosynthetic process
C0006235biological_processdTTP biosynthetic process
C0006417biological_processregulation of translation
C0007623biological_processcircadian rhythm
C0008168molecular_functionmethyltransferase activity
C0009165biological_processnucleotide biosynthetic process
C0009410biological_processresponse to xenobiotic stimulus
C0009636biological_processresponse to toxic substance
C0014070biological_processresponse to organic cyclic compound
C0016741molecular_functiontransferase activity, transferring one-carbon groups
C0017148biological_processnegative regulation of translation
C0019860biological_processuracil metabolic process
C0032259biological_processmethylation
C0032570biological_processresponse to progesterone
C0033189biological_processresponse to vitamin A
C0034097biological_processresponse to cytokine
C0035999biological_processtetrahydrofolate interconversion
C0042803molecular_functionprotein homodimerization activity
C0045471biological_processresponse to ethanol
C0046653biological_processtetrahydrofolate metabolic process
C0046683biological_processresponse to organophosphorus
C0048589biological_processdevelopmental growth
C0051216biological_processcartilage development
C0051384biological_processresponse to glucocorticoid
C0051593biological_processresponse to folic acid
C0060574biological_processintestinal epithelial cell maturation
C0071897biological_processDNA biosynthetic process
C0097421biological_processliver regeneration
C1901363molecular_functionheterocyclic compound binding
C1990825molecular_functionsequence-specific mRNA binding
D0000900molecular_functionmRNA regulatory element binding translation repressor activity
D0003729molecular_functionmRNA binding
D0004799molecular_functionthymidylate synthase activity
D0005542molecular_functionfolic acid binding
D0005634cellular_componentnucleus
D0005737cellular_componentcytoplasm
D0005739cellular_componentmitochondrion
D0005743cellular_componentmitochondrial inner membrane
D0005759cellular_componentmitochondrial matrix
D0005829cellular_componentcytosol
D0006206biological_processpyrimidine nucleobase metabolic process
D0006231biological_processdTMP biosynthetic process
D0006235biological_processdTTP biosynthetic process
D0006417biological_processregulation of translation
D0007623biological_processcircadian rhythm
D0008168molecular_functionmethyltransferase activity
D0009165biological_processnucleotide biosynthetic process
D0009410biological_processresponse to xenobiotic stimulus
D0009636biological_processresponse to toxic substance
D0014070biological_processresponse to organic cyclic compound
D0016741molecular_functiontransferase activity, transferring one-carbon groups
D0017148biological_processnegative regulation of translation
D0019860biological_processuracil metabolic process
D0032259biological_processmethylation
D0032570biological_processresponse to progesterone
D0033189biological_processresponse to vitamin A
D0034097biological_processresponse to cytokine
D0035999biological_processtetrahydrofolate interconversion
D0042803molecular_functionprotein homodimerization activity
D0045471biological_processresponse to ethanol
D0046653biological_processtetrahydrofolate metabolic process
D0046683biological_processresponse to organophosphorus
D0048589biological_processdevelopmental growth
D0051216biological_processcartilage development
D0051384biological_processresponse to glucocorticoid
D0051593biological_processresponse to folic acid
D0060574biological_processintestinal epithelial cell maturation
D0071897biological_processDNA biosynthetic process
D0097421biological_processliver regeneration
D1901363molecular_functionheterocyclic compound binding
D1990825molecular_functionsequence-specific mRNA binding
Functional Information from PDB Data
site_idAC1
Number of Residues18
DetailsBINDING SITE FOR RESIDUE D16 A 414
ChainResidue
APHE80
AMET311
AALA312
AUMP314
AHOH435
AHOH477
AHOH548
AHOH980
AHOH985
AHOH1017
AGLU87
AILE108
ATRP109
AASP218
ALEU221
AGLY222
APHE225
ATYR258

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE D16 B 415
ChainResidue
BGLU87
BILE108
BTRP109
BASN112
BASP218
BLEU221
BGLY222
BPHE225
BTYR258
BLYS308
BMET311
BALA312
BUMP315
BHOH589
BHOH648
BHOH789

site_idAC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE D16 C 416
ChainResidue
CPHE80
CGLU87
CILE108
CTRP109
CASP218
CLEU221
CGLY222
CPHE225
CTYR258
CMET311
CUMP316
CHOH586
CHOH605
CHOH690
CHOH848

site_idAC4
Number of Residues18
DetailsBINDING SITE FOR RESIDUE D16 D 417
ChainResidue
DPHE80
DGLU87
DILE108
DTRP109
DASN112
DASP218
DLEU221
DGLY222
DPHE225
DTYR258
DMET311
DALA312
DUMP317
DHOH604
DHOH624
DHOH678
DHOH865
DHOH907

site_idAC5
Number of Residues16
DetailsBINDING SITE FOR RESIDUE UMP A 314
ChainResidue
AARG50
ALEU192
ACYS195
AHIS196
AGLN214
AARG215
ASER216
AGLY217
AASP218
AASN226
AHIS256
ATYR258
AD16414
AHOH485
BARG175
BARG176

site_idAC6
Number of Residues18
DetailsBINDING SITE FOR RESIDUE UMP B 315
ChainResidue
BHOH504
BHOH565
AARG175
AARG176
BARG50
BLEU192
BCYS195
BHIS196
BGLN214
BARG215
BSER216
BGLY217
BASP218
BASN226
BHIS256
BTYR258
BD16415
BHOH496

site_idAC7
Number of Residues15
DetailsBINDING SITE FOR RESIDUE UMP C 316
ChainResidue
CARG50
CCYS195
CHIS196
CGLN214
CARG215
CSER216
CGLY217
CASP218
CASN226
CHIS256
CTYR258
CD16416
CHOH672
DARG175
DARG176

site_idAC8
Number of Residues17
DetailsBINDING SITE FOR RESIDUE UMP D 317
ChainResidue
CARG175
CARG176
DARG50
DTYR135
DCYS195
DHIS196
DGLN214
DARG215
DSER216
DGLY217
DASP218
DASN226
DHIS256
DTYR258
DD16417
DHOH524
DHOH619

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE BME A 1514
ChainResidue
AARG163
AVAL164
ATHR167
AARG176
AILE178
AHOH641
AHOH997

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE BME B 1515
ChainResidue
BARG163
BTHR167
BASP174
BARG176
BILE178

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BME C 1516
ChainResidue
CARG163
CTHR167
CILE178
CHOH476

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE BME D 1517
ChainResidue
DARG163
DTHR167
DASP174
DARG176
DILE178

Functional Information from PROSITE/UniProt
site_idPS00091
Number of Residues29
DetailsTHYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriImcaWNprdlplma.....LpPCHalcQFyV
ChainResidueDetails
AARG175-VAL203

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Nucleophile => ECO:0000250|UniProtKB:P0A884
ChainResidueDetails
AHIS196
BHIS196
CHIS196
DHIS196

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: in other chain => ECO:0000250|UniProtKB:P0A884
ChainResidueDetails
ATHR51
AILE227
BTHR51
BILE227
CTHR51
CILE227
DTHR51
DILE227

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P45352
ChainResidueDetails
AARG176
BARG176
CARG176
DARG176

site_idSWS_FT_FI4
Number of Residues12
DetailsBINDING: in other chain => ECO:0000250|UniProtKB:P45352
ChainResidueDetails
AHIS196
DHIS196
DSER216
DILE257
ASER216
AILE257
BHIS196
BSER216
BILE257
CHIS196
CSER216
CILE257

site_idSWS_FT_FI5
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P0A884
ChainResidueDetails
AMET219
AVAL313
BMET219
BVAL313
CMET219
CVAL313
DMET219
DVAL313

site_idSWS_FT_FI6
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:23186163
ChainResidueDetails
AARG115
BARG115
CARG115
DARG115

site_idSWS_FT_FI7
Number of Residues16
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733
ChainResidueDetails
AILE288
CALA293
CMET309
DILE288
DALA293
DMET309
AALA293
AMET309
BILE288
BALA293
BMET309
CILE288

Catalytic Information from CSA
site_idCSA1
Number of Residues6
DetailsAnnotated By Reference To The Literature 1b02
ChainResidueDetails
AASP254
ASER216
ACYS195
AASP218
AGLU87
AHIS256

site_idCSA2
Number of Residues6
DetailsAnnotated By Reference To The Literature 1b02
ChainResidueDetails
BASP254
BSER216
BCYS195
BASP218
BGLU87
BHIS256

site_idCSA3
Number of Residues6
DetailsAnnotated By Reference To The Literature 1b02
ChainResidueDetails
CASP254
CSER216
CCYS195
CASP218
CGLU87
CHIS256

site_idCSA4
Number of Residues6
DetailsAnnotated By Reference To The Literature 1b02
ChainResidueDetails
DASP254
DSER216
DCYS195
DASP218
DGLU87
DHIS256

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1b02
ChainResidueDetails
AASN226
ASER229
ACYS195

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1b02
ChainResidueDetails
BASN226
BSER229
BCYS195

site_idCSA7
Number of Residues3
DetailsAnnotated By Reference To The Literature 1b02
ChainResidueDetails
CASN226
CSER229
CCYS195

site_idCSA8
Number of Residues3
DetailsAnnotated By Reference To The Literature 1b02
ChainResidueDetails
DASN226
DSER229
DCYS195

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PDB entries from 2024-05-01

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