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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
DetailsActive site: {"description":"Nucleophile","evidences":[{"source":"UniProtKB","id":"P0A884","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues112
DetailsBinding site: {"description":"in other chain","evidences":[{"source":"UniProtKB","id":"P0A884","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues32
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"P0A884","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

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 2025-10-29

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