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4CQ8

Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with Genz-669178

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
B0004152molecular_functiondihydroorotate dehydrogenase activity
B0005737cellular_componentcytoplasm
B0006207biological_process'de novo' pyrimidine nucleobase biosynthetic process
B0016020cellular_componentmembrane
B0016627molecular_functionoxidoreductase activity, acting on the CH-CH group of donors
Functional Information from PDB Data
site_idAC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE FMN A 800
ChainResidue
AALA224
AASN458
ASER477
AGLY478
ASER505
AGLY506
AGLY507
ATYR528
ASER529
AORO900
AHOH2083
AALA225
AHOH2280
AHOH2281
AHOH2283
AGLY226
ALYS229
ATHR249
AASN274
AASN342
ALYS429
ASER457

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE ORO A 900
ChainResidue
ALYS229
AASN274
ACYS276
AGLY277
APHE278
AASN342
ASER345
AASN347
AASN458
ATHR459
AFMN800

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JBW A 4000
ChainResidue
ATYR168
APHE171
AGLY181
ACYS184
AHIS185
APHE188
AILE263
AARG265
ALEU531
AVAL532
AMET536
AHOH2006

site_idAC4
Number of Residues22
DetailsBINDING SITE FOR RESIDUE FMN B 800
ChainResidue
BALA224
BALA225
BGLY226
BLYS229
BTHR249
BASN274
BASN342
BLYS429
BSER457
BASN458
BSER477
BGLY478
BSER505
BGLY506
BGLY507
BTYR528
BSER529
BORO900
BHOH2071
BHOH2206
BHOH2207
BHOH2209

site_idAC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE ORO B 900
ChainResidue
BLYS229
BASN274
BCYS276
BGLY277
BPHE278
BASN342
BSER345
BASN347
BASN458
BTHR459
BFMN800

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JBW B 4000
ChainResidue
BTYR168
BPHE171
BCYS175
BGLY181
BCYS184
BHIS185
BPHE188
BARG265
BLEU531
BVAL532
BMET536
BHOH2005

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 Residues2
DetailsACT_SITE: Nucleophile => ECO:0000250
ChainResidueDetails
ASER345
BSER345

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:16510978, ECO:0000269|PubMed:20702404
ChainResidueDetails
AALA225
BGLY507
BGLY535
BLEU558
ATHR249
ATHR459
AGLY507
AGLY535
ALEU558
BALA225
BTHR249
BTHR459

site_idSWS_FT_FI3
Number of Residues10
DetailsBINDING:
ChainResidueDetails
ALYS229
BPHE488
AASN274
AASN342
AASN347
APHE488
BLYS229
BASN274
BASN342
BASN347

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PDB entries from 2024-07-31

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