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2AAZ

Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate

Functional Information from GO Data
ChainGOidnamespacecontents
A0004799molecular_functionthymidylate synthase activity
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0006231biological_processdTMP biosynthetic process
A0006235biological_processdTTP biosynthetic process
A0008168molecular_functionmethyltransferase activity
A0009165biological_processnucleotide biosynthetic process
A0016740molecular_functiontransferase activity
A0016741molecular_functiontransferase activity, transferring one-carbon groups
A0032259biological_processmethylation
B0004799molecular_functionthymidylate synthase activity
B0005739cellular_componentmitochondrion
B0005829cellular_componentcytosol
B0006231biological_processdTMP biosynthetic process
B0006235biological_processdTTP biosynthetic process
B0008168molecular_functionmethyltransferase activity
B0009165biological_processnucleotide biosynthetic process
B0016740molecular_functiontransferase activity
B0016741molecular_functiontransferase activity, transferring one-carbon groups
B0032259biological_processmethylation
C0004799molecular_functionthymidylate synthase activity
C0005739cellular_componentmitochondrion
C0005829cellular_componentcytosol
C0006231biological_processdTMP biosynthetic process
C0006235biological_processdTTP biosynthetic process
C0008168molecular_functionmethyltransferase activity
C0009165biological_processnucleotide biosynthetic process
C0016740molecular_functiontransferase activity
C0016741molecular_functiontransferase activity, transferring one-carbon groups
C0032259biological_processmethylation
D0004799molecular_functionthymidylate synthase activity
D0005739cellular_componentmitochondrion
D0005829cellular_componentcytosol
D0006231biological_processdTMP biosynthetic process
D0006235biological_processdTTP biosynthetic process
D0008168molecular_functionmethyltransferase activity
D0009165biological_processnucleotide biosynthetic process
D0016740molecular_functiontransferase activity
D0016741molecular_functiontransferase activity, transferring one-carbon groups
D0032259biological_processmethylation
E0004799molecular_functionthymidylate synthase activity
E0005739cellular_componentmitochondrion
E0005829cellular_componentcytosol
E0006231biological_processdTMP biosynthetic process
E0006235biological_processdTTP biosynthetic process
E0008168molecular_functionmethyltransferase activity
E0009165biological_processnucleotide biosynthetic process
E0016740molecular_functiontransferase activity
E0016741molecular_functiontransferase activity, transferring one-carbon groups
E0032259biological_processmethylation
F0004799molecular_functionthymidylate synthase activity
F0005739cellular_componentmitochondrion
F0005829cellular_componentcytosol
F0006231biological_processdTMP biosynthetic process
F0006235biological_processdTTP biosynthetic process
F0008168molecular_functionmethyltransferase activity
F0009165biological_processnucleotide biosynthetic process
F0016740molecular_functiontransferase activity
F0016741molecular_functiontransferase activity, transferring one-carbon groups
F0032259biological_processmethylation
G0004799molecular_functionthymidylate synthase activity
G0005739cellular_componentmitochondrion
G0005829cellular_componentcytosol
G0006231biological_processdTMP biosynthetic process
G0006235biological_processdTTP biosynthetic process
G0008168molecular_functionmethyltransferase activity
G0009165biological_processnucleotide biosynthetic process
G0016740molecular_functiontransferase activity
G0016741molecular_functiontransferase activity, transferring one-carbon groups
G0032259biological_processmethylation
H0004799molecular_functionthymidylate synthase activity
H0005739cellular_componentmitochondrion
H0005829cellular_componentcytosol
H0006231biological_processdTMP biosynthetic process
H0006235biological_processdTTP biosynthetic process
H0008168molecular_functionmethyltransferase activity
H0009165biological_processnucleotide biosynthetic process
H0016740molecular_functiontransferase activity
H0016741molecular_functiontransferase activity, transferring one-carbon groups
H0032259biological_processmethylation
I0004799molecular_functionthymidylate synthase activity
I0005739cellular_componentmitochondrion
I0005829cellular_componentcytosol
I0006231biological_processdTMP biosynthetic process
I0006235biological_processdTTP biosynthetic process
I0008168molecular_functionmethyltransferase activity
I0009165biological_processnucleotide biosynthetic process
I0016740molecular_functiontransferase activity
I0016741molecular_functiontransferase activity, transferring one-carbon groups
I0032259biological_processmethylation
J0004799molecular_functionthymidylate synthase activity
J0005739cellular_componentmitochondrion
J0005829cellular_componentcytosol
J0006231biological_processdTMP biosynthetic process
J0006235biological_processdTTP biosynthetic process
J0008168molecular_functionmethyltransferase activity
J0009165biological_processnucleotide biosynthetic process
J0016740molecular_functiontransferase activity
J0016741molecular_functiontransferase activity, transferring one-carbon groups
J0032259biological_processmethylation
K0004799molecular_functionthymidylate synthase activity
K0005739cellular_componentmitochondrion
K0005829cellular_componentcytosol
K0006231biological_processdTMP biosynthetic process
K0006235biological_processdTTP biosynthetic process
K0008168molecular_functionmethyltransferase activity
K0009165biological_processnucleotide biosynthetic process
K0016740molecular_functiontransferase activity
K0016741molecular_functiontransferase activity, transferring one-carbon groups
K0032259biological_processmethylation
L0004799molecular_functionthymidylate synthase activity
L0005739cellular_componentmitochondrion
L0005829cellular_componentcytosol
L0006231biological_processdTMP biosynthetic process
L0006235biological_processdTTP biosynthetic process
L0008168molecular_functionmethyltransferase activity
L0009165biological_processnucleotide biosynthetic process
L0016740molecular_functiontransferase activity
L0016741molecular_functiontransferase activity, transferring one-carbon groups
L0032259biological_processmethylation
M0004799molecular_functionthymidylate synthase activity
M0005739cellular_componentmitochondrion
M0005829cellular_componentcytosol
M0006231biological_processdTMP biosynthetic process
M0006235biological_processdTTP biosynthetic process
M0008168molecular_functionmethyltransferase activity
M0009165biological_processnucleotide biosynthetic process
M0016740molecular_functiontransferase activity
M0016741molecular_functiontransferase activity, transferring one-carbon groups
M0032259biological_processmethylation
N0004799molecular_functionthymidylate synthase activity
N0005739cellular_componentmitochondrion
N0005829cellular_componentcytosol
N0006231biological_processdTMP biosynthetic process
N0006235biological_processdTTP biosynthetic process
N0008168molecular_functionmethyltransferase activity
N0009165biological_processnucleotide biosynthetic process
N0016740molecular_functiontransferase activity
N0016741molecular_functiontransferase activity, transferring one-carbon groups
N0032259biological_processmethylation
O0004799molecular_functionthymidylate synthase activity
O0005739cellular_componentmitochondrion
O0005829cellular_componentcytosol
O0006231biological_processdTMP biosynthetic process
O0006235biological_processdTTP biosynthetic process
O0008168molecular_functionmethyltransferase activity
O0009165biological_processnucleotide biosynthetic process
O0016740molecular_functiontransferase activity
O0016741molecular_functiontransferase activity, transferring one-carbon groups
O0032259biological_processmethylation
P0004799molecular_functionthymidylate synthase activity
P0005739cellular_componentmitochondrion
P0005829cellular_componentcytosol
P0006231biological_processdTMP biosynthetic process
P0006235biological_processdTTP biosynthetic process
P0008168molecular_functionmethyltransferase activity
P0009165biological_processnucleotide biosynthetic process
P0016740molecular_functiontransferase activity
P0016741molecular_functiontransferase activity, transferring one-carbon groups
P0032259biological_processmethylation
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE UMP A 350
ChainResidue
AARG40
AHIS257
ATYR259
AHOH523
AHOH555
ACB32351
BARG167
BARG168
ACYS187
AHIS188
AGLN215
AARG216
ASER217
AASP219
AGLY223
AASN227

site_idAC2
Number of Residues24
DetailsBINDING SITE FOR RESIDUE CB3 A 2351
ChainResidue
APHE72
AGLU79
AILE100
ATRP101
AASN104
AASP219
ALEU222
AGLY223
APHE226
AASN227
ATYR259
AMET315
ASER316
AUMP350
AHOH571
AHOH574
AHOH657
AHOH776
AHOH876
AHOH979
AHOH1400
AHOH1598
HARG70
HLYS310

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE UMP B 400
ChainResidue
AARG167
AARG168
BARG40
BTYR127
BCYS187
BHIS188
BGLN215
BARG216
BSER217
BASP219
BASN227
BHIS257
BTYR259
BHOH603
BHOH729
BCB32401

site_idAC4
Number of Residues23
DetailsBINDING SITE FOR RESIDUE CB3 B 2401
ChainResidue
BPHE72
BGLU79
BILE100
BTRP101
BASN104
BASP219
BLEU222
BGLY223
BPHE226
BASN227
BTYR259
BMET315
BSER316
BUMP400
BHOH545
BHOH632
BHOH681
BHOH993
BHOH994
BHOH1079
BHOH1381
GARG70
GLYS310

site_idAC5
Number of Residues16
DetailsBINDING SITE FOR RESIDUE UMP C 450
ChainResidue
CARG40
CCYS187
CHIS188
CGLN215
CARG216
CSER217
CASP219
CGLY223
CASN227
CHIS257
CTYR259
CHOH525
CHOH783
CCB32451
DARG167
DARG168

site_idAC6
Number of Residues24
DetailsBINDING SITE FOR RESIDUE CB3 C 2451
ChainResidue
CASN104
CASP219
CLEU222
CGLY223
CPHE226
CASN227
CTYR259
CMET315
CSER316
CUMP450
CHOH538
CHOH824
CHOH967
CHOH968
CHOH1001
CHOH1374
CHOH1435
CHOH1437
FARG70
FLYS310
CPHE72
CGLU79
CILE100
CTRP101

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE UMP D 500
ChainResidue
CARG167
CARG168
DARG40
DTYR127
DCYS187
DHIS188
DGLN215
DARG216
DSER217
DASP219
DASN227
DHIS257
DTYR259
DHOH521
DHOH915
DCB32501

site_idAC8
Number of Residues24
DetailsBINDING SITE FOR RESIDUE CB3 D 2501
ChainResidue
DPHE72
DGLU79
DILE100
DTRP101
DASN104
DASP219
DLEU222
DGLY223
DPHE226
DASN227
DTYR259
DMET315
DSER316
DUMP500
DHOH520
DHOH695
DHOH752
DHOH771
DHOH965
DHOH992
DHOH1088
DHOH1375
EARG70
ELYS310

site_idAC9
Number of Residues17
DetailsBINDING SITE FOR RESIDUE UMP E 550
ChainResidue
EARG40
ETYR127
ECYS187
EHIS188
EGLN215
EARG216
ESER217
EASP219
EGLY223
EASN227
EHIS257
ETYR259
EHOH514
EHOH610
ECB32551
FARG167
FARG168

site_idBC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE CB3 E 2551
ChainResidue
DARG70
DLYS310
DHOH1502
EPHE72
EGLU79
EILE100
ETRP101
EASN104
EASP219
ELEU222
EGLY223
EPHE226
EASN227
ETYR259
EMET315
ESER316
EUMP550
EHOH565
EHOH677
EHOH802
EHOH1095
EHOH1233
EHOH1294
EHOH1296

site_idBC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE UMP F 600
ChainResidue
EARG167
EARG168
FARG40
FTYR127
FCYS187
FHIS188
FGLN215
FARG216
FSER217
FASP219
FASN227
FHIS257
FTYR259
FHOH622
FHOH1055
FCB32601

site_idBC3
Number of Residues24
DetailsBINDING SITE FOR RESIDUE CB3 F 2601
ChainResidue
CARG70
CLYS310
FPHE72
FGLU79
FILE100
FTRP101
FASN104
FASP219
FLEU222
FGLY223
FPHE226
FASN227
FTYR259
FMET315
FSER316
FUMP600
FHOH759
FHOH792
FHOH1041
FHOH1043
FHOH1317
FHOH1377
FHOH1498
FHOH1516

site_idBC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE UMP G 650
ChainResidue
GARG40
GCYS187
GHIS188
GGLN215
GARG216
GSER217
GASP219
GASN227
GHIS257
GTYR259
GHOH423
GHOH1150
GCB32651
HARG167
HARG168

site_idBC5
Number of Residues23
DetailsBINDING SITE FOR RESIDUE CB3 G 2651
ChainResidue
BARG70
BLYS310
GPHE72
GGLU79
GILE100
GTRP101
GASN104
GASP219
GLEU222
GGLY223
GPHE226
GASN227
GTYR259
GMET315
GSER316
GHOH451
GHOH452
GHOH499
GHOH502
GUMP650
GHOH1151
GHOH1342
GHOH1343

site_idBC6
Number of Residues15
DetailsBINDING SITE FOR RESIDUE UMP H 700
ChainResidue
GARG167
GARG168
HARG40
HCYS187
HHIS188
HGLN215
HARG216
HSER217
HASP219
HASN227
HHIS257
HTYR259
HHOH477
HHOH1044
HCB32701

site_idBC7
Number of Residues25
DetailsBINDING SITE FOR RESIDUE CB3 H 2701
ChainResidue
AARG70
ALYS310
HPHE72
HGLU79
HILE100
HTRP101
HASN104
HLEU184
HASP219
HLEU222
HGLY223
HPHE226
HASN227
HTYR259
HMET315
HSER316
HHOH409
HHOH479
HUMP700
HHOH1236
HHOH1367
HHOH1371
HHOH1372
HHOH1376
HHOH1439

site_idBC8
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP I 350
ChainResidue
IARG40
ITYR127
ILEU184
ICYS187
IHIS188
IGLN215
IARG216
ISER217
IASP219
IASN227
IHIS257
ITYR259
JARG167
JARG168

site_idBC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP J 400
ChainResidue
IARG167
IARG168
JARG40
JTYR127
JCYS187
JHIS188
JGLN215
JARG216
JSER217
JASP219
JGLY223
JASN227
JHIS257
JTYR259

site_idCC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP K 450
ChainResidue
KARG40
KTYR127
KCYS187
KHIS188
KGLN215
KARG216
KSER217
KCYS218
KASP219
KASN227
KHIS257
KTYR259
LARG167
LARG168

site_idCC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP L 500
ChainResidue
KARG167
KARG168
LARG40
LTYR127
LCYS187
LHIS188
LGLN215
LARG216
LSER217
LCYS218
LASP219
LASN227
LHIS257
LTYR259

site_idCC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP M 550
ChainResidue
MARG40
MTYR127
MCYS187
MHIS188
MGLN215
MARG216
MSER217
MCYS218
MASP219
MASN227
MHIS257
MTYR259
NARG167
NARG168

site_idCC4
Number of Residues21
DetailsBINDING SITE FOR RESIDUE UMP N 600
ChainResidue
MARG167
MARG168
NARG40
NPHE109
NLEU110
NGLU111
NLYS112
NVAL113
NGLY114
NLEU115
NTYR127
NCYS187
NHIS188
NGLN215
NARG216
NSER217
NCYS218
NASP219
NASN227
NHIS257
NTYR259

site_idCC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE UMP O 650
ChainResidue
OARG40
OTYR127
OCYS187
OHIS188
OGLN215
OARG216
OSER217
OASP219
OASN227
OHIS257
OTYR259
PARG167
PARG168

site_idCC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP P 700
ChainResidue
OARG167
OARG168
PARG40
PTYR127
PCYS187
PHIS188
PGLN215
PARG216
PSER217
PCYS218
PASP219
PASN227
PHIS257
PTYR259

Functional Information from PROSITE/UniProt
site_idPS00091
Number of Residues29
DetailsTHYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriIlsaWNpkdlplma.....LpPCHmfcQFfV
ChainResidueDetails
AARG167-VAL195

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsACT_SITE: Nucleophile => ECO:0000250|UniProtKB:P0A884
ChainResidueDetails
ACYS187
JCYS187
KCYS187
LCYS187
MCYS187
NCYS187
OCYS187
PCYS187
BCYS187
CCYS187
DCYS187
ECYS187
FCYS187
GCYS187
HCYS187
ICYS187

site_idSWS_FT_FI2
Number of Residues64
DetailsBINDING: in other chain => ECO:0000250|UniProtKB:P0A884
ChainResidueDetails
AARG40
CARG216
CASN227
CHIS257
DARG40
DARG216
DASN227
DHIS257
EARG40
EARG216
EASN227
AARG216
EHIS257
FARG40
FARG216
FASN227
FHIS257
GARG40
GARG216
GASN227
GHIS257
HARG40
AASN227
HARG216
HASN227
HHIS257
IARG40
IARG216
IASN227
IHIS257
JARG40
JARG216
JASN227
AHIS257
JHIS257
KARG40
KARG216
KASN227
KHIS257
LARG40
LARG216
LASN227
LHIS257
MARG40
BARG40
MARG216
MASN227
MHIS257
NARG40
NARG216
NASN227
NHIS257
OARG40
OARG216
OASN227
BARG216
OHIS257
PARG40
PARG216
PASN227
PHIS257
BASN227
BHIS257
CARG40

site_idSWS_FT_FI3
Number of Residues32
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P0A884
ChainResidueDetails
AARG167
EASP219
FARG167
FASP219
GARG167
GASP219
HARG167
HASP219
IARG167
IASP219
JARG167
AASP219
JASP219
KARG167
KASP219
LARG167
LASP219
MARG167
MASP219
NARG167
NASP219
OARG167
BARG167
OASP219
PARG167
PASP219
BASP219
CARG167
CASP219
DARG167
DASP219
EARG167

Catalytic Information from CSA
site_idCSA1
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
ACYS187
AHIS257
AGLU79
AASP219
AASP255
ASER217

site_idCSA10
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
JCYS187
JHIS257
JGLU79
JASP219
JASP255
JSER217

site_idCSA11
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
KCYS187
KHIS257
KGLU79
KASP219
KASP255
KSER217

site_idCSA12
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
LCYS187
LHIS257
LGLU79
LASP219
LASP255
LSER217

site_idCSA13
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
MCYS187
MHIS257
MGLU79
MASP219
MASP255
MSER217

site_idCSA14
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
NCYS187
NHIS257
NGLU79
NASP219
NASP255
NSER217

site_idCSA15
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
OCYS187
OHIS257
OGLU79
OASP219
OASP255
OSER217

site_idCSA16
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
PCYS187
PHIS257
PGLU79
PASP219
PASP255
PSER217

site_idCSA2
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
BCYS187
BHIS257
BGLU79
BASP219
BASP255
BSER217

site_idCSA3
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
CCYS187
CHIS257
CGLU79
CASP219
CASP255
CSER217

site_idCSA4
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
DCYS187
DHIS257
DGLU79
DASP219
DASP255
DSER217

site_idCSA5
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
ECYS187
EHIS257
EGLU79
EASP219
EASP255
ESER217

site_idCSA6
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
FCYS187
FHIS257
FGLU79
FASP219
FASP255
FSER217

site_idCSA7
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
GCYS187
GHIS257
GGLU79
GASP219
GASP255
GSER217

site_idCSA8
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
HCYS187
HHIS257
HGLU79
HASP219
HASP255
HSER217

site_idCSA9
Number of Residues6
DetailsAnnotated By Reference To The Literature 1lcb
ChainResidueDetails
ICYS187
IHIS257
IGLU79
IASP219
IASP255
ISER217

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PDB entries from 2025-06-18

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