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1IA3

Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004146molecular_functiondihydrofolate reductase activity
A0005739cellular_componentmitochondrion
A0006730biological_processone-carbon metabolic process
A0016491molecular_functionoxidoreductase activity
A0046452biological_processdihydrofolate metabolic process
A0046654biological_processtetrahydrofolate biosynthetic process
A0046655biological_processfolic acid metabolic process
A0050661molecular_functionNADP binding
B0004146molecular_functiondihydrofolate reductase activity
B0005739cellular_componentmitochondrion
B0006730biological_processone-carbon metabolic process
B0016491molecular_functionoxidoreductase activity
B0046452biological_processdihydrofolate metabolic process
B0046654biological_processtetrahydrofolate biosynthetic process
B0046655biological_processfolic acid metabolic process
B0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE NDP A 193
ChainResidue
AARG30
ASER94
AGLY114
AALA115
AGLU116
AILE117
AGLU120
ATQ5194
AHOH247
AHOH352
AHOH395
ALYS31
AHOH423
AHOH461
AHOH492
AGLY55
AARG56
ALYS57
ATHR58
ALEU77
ASER78
AARG79

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE TQ5 A 194
ChainResidue
AILE9
AVAL10
AALA11
AILE19
AGLU32
AILE33
APHE36
AILE112
ATYR118
ATHR133
ANDP193

site_idAC3
Number of Residues23
DetailsBINDING SITE FOR RESIDUE NDP B 195
ChainResidue
BGLY55
BARG56
BLYS57
BTHR58
BLEU77
BSER78
BARG79
BSER94
BSER95
BILE96
BGLY114
BALA115
BGLU116
BILE117
BGLU120
BTQ5196
BHOH264
BHOH350
BHOH389
BHOH440
BHOH481
BHOH490
BHOH537

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE TQ5 B 196
ChainResidue
BILE9
BVAL10
BILE19
BMET25
BGLU32
BPHE36
BTHR58
BILE112
BTYR118
BTHR133
BNDP195

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MES A 201
ChainResidue
APHE36
ALEU69
AARG72
AHOH501
AHOH538

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MES B 202
ChainResidue
BPHE36
BLYS37
BPRO70
BARG72
BHOH301
BHOH541

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

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues10
DetailsBINDING: BINDING => ECO:0000269|PubMed:11520201
ChainResidueDetails
AALA11
BGLY113
AGLY18
AARG56
ASER78
AGLY113
BALA11
BGLY18
BARG56
BSER78

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000305|PubMed:11520201
ChainResidueDetails
AGLU32
AILE112
ATYR118
BGLU32
BILE112
BTYR118

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P0ABQ4
ChainResidueDetails
AARG72
BARG72

Catalytic Information from CSA
site_idCSA1
Number of Residues7
DetailsAnnotated By Reference To The Literature 1ra2
ChainResidueDetails
AVAL10
AGLU32
AILE33
AMET25
AILE112
ALEU69
APHE36

site_idCSA2
Number of Residues7
DetailsAnnotated By Reference To The Literature 1ra2
ChainResidueDetails
BVAL10
BGLU32
BILE33
BMET25
BILE112
BLEU69
BPHE36

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PDB entries from 2024-09-11

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