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6PFA

Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-((4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)methyl)benzoic acid.

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004146molecular_functiondihydrofolate reductase activity
A0004799molecular_functionthymidylate synthase activity
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0006231biological_processdTMP biosynthetic process
A0006730biological_processone-carbon metabolic process
A0008168molecular_functionmethyltransferase activity
A0009165biological_processnucleotide biosynthetic process
A0016491molecular_functionoxidoreductase activity
A0016741molecular_functiontransferase activity, transferring one-carbon groups
A0032259biological_processmethylation
A0046654biological_processtetrahydrofolate biosynthetic process
B0000166molecular_functionnucleotide binding
B0004146molecular_functiondihydrofolate reductase activity
B0004799molecular_functionthymidylate synthase activity
B0005739cellular_componentmitochondrion
B0005829cellular_componentcytosol
B0006231biological_processdTMP biosynthetic process
B0006730biological_processone-carbon metabolic process
B0008168molecular_functionmethyltransferase activity
B0009165biological_processnucleotide biosynthetic process
B0016491molecular_functionoxidoreductase activity
B0016741molecular_functiontransferase activity, transferring one-carbon groups
B0032259biological_processmethylation
B0046654biological_processtetrahydrofolate biosynthetic process
C0000166molecular_functionnucleotide binding
C0004146molecular_functiondihydrofolate reductase activity
C0004799molecular_functionthymidylate synthase activity
C0005739cellular_componentmitochondrion
C0005829cellular_componentcytosol
C0006231biological_processdTMP biosynthetic process
C0006730biological_processone-carbon metabolic process
C0008168molecular_functionmethyltransferase activity
C0009165biological_processnucleotide biosynthetic process
C0016491molecular_functionoxidoreductase activity
C0016741molecular_functiontransferase activity, transferring one-carbon groups
C0032259biological_processmethylation
C0046654biological_processtetrahydrofolate biosynthetic process
D0000166molecular_functionnucleotide binding
D0004146molecular_functiondihydrofolate reductase activity
D0004799molecular_functionthymidylate synthase activity
D0005739cellular_componentmitochondrion
D0005829cellular_componentcytosol
D0006231biological_processdTMP biosynthetic process
D0006730biological_processone-carbon metabolic process
D0008168molecular_functionmethyltransferase activity
D0009165biological_processnucleotide biosynthetic process
D0016491molecular_functionoxidoreductase activity
D0016741molecular_functiontransferase activity, transferring one-carbon groups
D0032259biological_processmethylation
D0046654biological_processtetrahydrofolate biosynthetic process
E0000166molecular_functionnucleotide binding
E0004146molecular_functiondihydrofolate reductase activity
E0004799molecular_functionthymidylate synthase activity
E0005739cellular_componentmitochondrion
E0005829cellular_componentcytosol
E0006231biological_processdTMP biosynthetic process
E0006730biological_processone-carbon metabolic process
E0008168molecular_functionmethyltransferase activity
E0009165biological_processnucleotide biosynthetic process
E0016491molecular_functionoxidoreductase activity
E0016741molecular_functiontransferase activity, transferring one-carbon groups
E0032259biological_processmethylation
E0046654biological_processtetrahydrofolate biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues23
Detailsbinding site for residue NDP A 601
ChainResidue
AVAL10
ATHR58
AILE75
ASER76
ASER77
ASER78
AARG92
ACYS113
AGLY114
AGLY115
AGLU116
AALA11
ASER117
ATHR145
AMTX604
DHIS332
AILE19
AGLY23
AGLN24
ALEU25
AGLY55
AARG56
ALYS57

site_idAC2
Number of Residues15
Detailsbinding site for residue UFP A 602
ChainResidue
AARG257
ALEU399
ACYS402
AHIS403
AGLN422
AARG423
ASER424
ACYS425
AASP426
AASN434
AHIS464
ATYR466
AOF4603
BARG382
BARG383

site_idAC3
Number of Residues10
Detailsbinding site for residue OF4 A 603
ChainResidue
AALA287
AILE315
AASN319
ALEU399
AASP426
ALEU429
AGLY430
ATYR466
AALA520
AUFP602

site_idAC4
Number of Residues14
Detailsbinding site for residue MTX A 604
ChainResidue
AVAL9
AVAL10
AALA11
ALEU25
AASP32
ALEU33
APHE36
ASER37
AILE62
ALEU67
AARG70
ATYR119
ATHR134
ANDP601

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 A 605
ChainResidue
AHIS216
AARG246
AGLN268
BARG271

site_idAC6
Number of Residues24
Detailsbinding site for residue NDP B 601
ChainResidue
BALA11
BILE19
BGLY20
BGLY23
BGLN24
BLEU25
BGLY55
BARG56
BLYS57
BTHR58
BILE75
BSER76
BSER77
BSER78
BARG92
BCYS113
BGLY114
BGLY115
BGLU116
BSER117
BTHR145
BHIS332
BMTX604
BHOH728

site_idAC7
Number of Residues14
Detailsbinding site for residue UFP B 602
ChainResidue
BASP426
BASN434
BHIS464
BTYR466
BOF4603
AARG382
AARG383
BARG257
BCYS402
BHIS403
BGLN422
BARG423
BSER424
BCYS425

site_idAC8
Number of Residues11
Detailsbinding site for residue OF4 B 603
ChainResidue
BALA287
BILE315
BASN319
BLEU399
BASP426
BLEU429
BGLY430
BTYR466
BMET519
BALA520
BUFP602

site_idAC9
Number of Residues12
Detailsbinding site for residue MTX B 604
ChainResidue
BVAL9
BVAL10
BALA11
BLEU25
BASP32
BPHE36
BSER37
BILE62
BARG70
BTYR119
BTHR134
BNDP601

site_idAD1
Number of Residues4
Detailsbinding site for residue SO4 B 605
ChainResidue
AARG271
BHIS216
BARG246
BGLN268

site_idAD2
Number of Residues24
Detailsbinding site for residue NDP C 601
ChainResidue
CVAL10
CALA11
CILE19
CGLY23
CGLN24
CLEU25
CGLY55
CARG56
CLYS57
CTHR58
CILE75
CSER76
CSER77
CSER78
CARG92
CCYS113
CGLY114
CGLY115
CGLU116
CSER117
CILE118
CTHR145
CMTX604
CHOH701

site_idAD3
Number of Residues14
Detailsbinding site for residue UFP C 602
ChainResidue
CARG257
CCYS402
CHIS403
CGLN422
CARG423
CSER424
CCYS425
CASP426
CASN434
CHIS464
CTYR466
COF4603
DARG382
DARG383

site_idAD4
Number of Residues9
Detailsbinding site for residue OF4 C 603
ChainResidue
CALA287
CILE315
CASN319
CLEU399
CASP426
CLEU429
CGLY430
CALA520
CUFP602

site_idAD5
Number of Residues12
Detailsbinding site for residue MTX C 604
ChainResidue
CVAL9
CVAL10
CALA11
CLEU25
CASP32
CPHE36
CSER37
CILE62
CLEU67
CARG70
CTHR134
CNDP601

site_idAD6
Number of Residues4
Detailsbinding site for residue SO4 C 605
ChainResidue
CHIS216
CARG246
CGLN268
DARG271

site_idAD7
Number of Residues22
Detailsbinding site for residue NDP D 601
ChainResidue
DALA11
DILE19
DGLY20
DGLY23
DGLN24
DLEU25
DGLY55
DARG56
DLYS57
DTHR58
DILE75
DSER76
DSER77
DSER78
DARG92
DCYS113
DGLY114
DGLY115
DGLU116
DSER117
DTHR145
DMTX604

site_idAD8
Number of Residues14
Detailsbinding site for residue UFP D 602
ChainResidue
CARG382
CARG383
DARG257
DCYS402
DHIS403
DGLN422
DARG423
DSER424
DCYS425
DASP426
DASN434
DHIS464
DTYR466
DOF4603

site_idAD9
Number of Residues11
Detailsbinding site for residue OF4 D 603
ChainResidue
DALA287
DSER290
DILE315
DASN319
DLEU399
DASP426
DLEU429
DGLY430
DTYR466
DALA520
DUFP602

site_idAE1
Number of Residues13
Detailsbinding site for residue MTX D 604
ChainResidue
DVAL9
DVAL10
DALA11
DLEU25
DASP32
DPHE36
DSER37
DILE62
DLEU67
DARG70
DTYR119
DTHR134
DNDP601

site_idAE2
Number of Residues2
Detailsbinding site for residue SO4 D 605
ChainResidue
DHIS216
DGLN268

site_idAE3
Number of Residues25
Detailsbinding site for residue NDP E 601
ChainResidue
EVAL10
EALA11
EILE19
EGLY20
EILE21
EGLY23
EGLN24
ELEU25
EGLY55
EARG56
ELYS57
ETHR58
EILE75
ESER76
ESER77
ESER78
EARG92
ECYS113
EGLY114
EGLY115
EGLU116
ESER117
EILE118
ETHR145
EMTX604

site_idAE4
Number of Residues15
Detailsbinding site for residue UFP E 602
ChainResidue
EARG257
EARG382
EARG383
ELEU399
ECYS402
EHIS403
EGLN422
EARG423
ESER424
ECYS425
EASP426
EASN434
EHIS464
ETYR466
EOF4603

site_idAE5
Number of Residues9
Detailsbinding site for residue OF4 E 603
ChainResidue
EALA287
EILE315
ELEU399
EASP426
ELEU429
EGLY430
ETYR466
EALA520
EUFP602

site_idAE6
Number of Residues13
Detailsbinding site for residue MTX E 604
ChainResidue
EVAL9
EVAL10
EALA11
ELEU25
EASP32
ELEU33
EPHE36
ESER37
EILE62
EARG70
ETYR119
ETHR134
ENDP601

site_idAE7
Number of Residues4
Detailsbinding site for residue SO4 E 605
ChainResidue
EHIS216
EARG246
EGLN268
EARG271

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGingqLPWsise.DlkfFskiT
ChainResidueDetails
AGLY18-THR40

site_idPS00091
Number of Residues29
DetailsTHYMIDYLATE_SYNTHASE Thymidylate synthase active site. RrhIltaWNpsalsqma.....LpPCHvlsQYyV
ChainResidueDetails
AARG382-VAL410

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PDB entries from 2024-06-12

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