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3I65

Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM1

Functional Information from GO Data
ChainGOidnamespacecontents
A0004152molecular_functiondihydroorotate dehydrogenase activity
A0005737cellular_componentcytoplasm
A0006207biological_process'de novo' pyrimidine nucleobase biosynthetic process
A0016020cellular_componentmembrane
A0016627molecular_functionoxidoreductase activity, acting on the CH-CH group of donors
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JZ8 A 1001
ChainResidue
AHOH15
ALEU531
AVAL532
AMET536
AGLY181
ACYS184
AHIS185
APHE188
ALEU189
ALEU197
APHE227
AARG265

site_idAC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE FMN A 1002
ChainResidue
AHOH11
AHOH13
AHOH20
AALA224
AALA225
AGLY226
ALYS229
ATHR249
AASN274
AASN342
ALYS429
ASER457
AASN458
ASER477
AGLY478
ALEU481
ASER505
AGLY506
AGLY507
ATYR528
ASER529
AORO1003

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE ORO A 1003
ChainResidue
ALYS229
AASN274
ACYS276
AGLY277
APHE278
AASN342
ASER345
AASN347
AASN458
ATHR459
AFMN1002

site_idAC4
Number of Residues14
DetailsBINDING SITE FOR RESIDUE LDA A 1004
ChainResidue
AHOH2
AHOH39
AHOH47
AASP180
APRO261
AILE263
APHE264
AARG265
AASP266
AVAL267
AGLU268
AGLU375
AASN381
AASP382

Functional Information from PROSITE/UniProt
site_idPS00911
Number of Residues20
DetailsDHODEHASE_1 Dihydroorotate dehydrogenase signature 1. SfieiGTITprgQtGNakPR
ChainResidueDetails
ASER243-ARG262

site_idPS00912
Number of Residues21
DetailsDHODEHASE_2 Dihydroorotate dehydrogenase signature 2. IIAsGGIfSgldAleKIeAGA
ChainResidueDetails
AILE502-ALA522

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile => ECO:0000250
ChainResidueDetails
ASER345

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:16510978, ECO:0000269|PubMed:20702404
ChainResidueDetails
AALA225
ATHR249
ATHR459
AGLY507
AGLY535
ALEU558

site_idSWS_FT_FI3
Number of Residues5
DetailsBINDING:
ChainResidueDetails
ALYS229
AASN274
AASN342
AASN347
APHE488

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1h7x
ChainResidueDetails
APHE278
ASER345
ALYS429

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1h7x
ChainResidueDetails
ASER345

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PDB entries from 2024-07-17

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