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4HOE

Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111E)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004146molecular_functiondihydrofolate reductase activity
A0006730biological_processone-carbon metabolic process
A0016491molecular_functionoxidoreductase activity
A0046654biological_processtetrahydrofolate biosynthetic process
A0050661molecular_functionNADP binding
B0004146molecular_functiondihydrofolate reductase activity
B0006730biological_processone-carbon metabolic process
B0016491molecular_functionoxidoreductase activity
B0046654biological_processtetrahydrofolate biosynthetic process
B0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NDP A 201
ChainResidue
AVAL10
AARG56
ALYS57
ATHR58
ALEU77
ASER78
AARG79
ASER94
AILE112
AGLY114
AALA115
AALA11
AGLU116
AILE117
ATYR118
AGLU120
AGLU174
A18G202
AHOH341
AHOH347
AHOH354
AHOH381
AILE19
AHOH397
AHOH424
AHOH441
AHOH444
AGLY20
AGLY23
ALYS24
AMET25
ALYS31
AGLY55

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 18G A 202
ChainResidue
AILE9
AVAL10
AALA11
AMET25
AGLU32
APHE36
ATHR58
ASER61
APRO63
APHE66
AILE112
ATYR118
ANDP201
AHOH340

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GLY A 203
ChainResidue
AASN5
AARG108
AVAL109
ASER128
AHIS129
APHE167

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 204
ChainResidue
ASER94
ASER95
ASER98
AVAL172
AHOH317
AHOH336
AHOH351
AHOH387

site_idAC5
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NDP B 201
ChainResidue
BVAL10
BALA11
BILE19
BGLY20
BGLY23
BLYS24
BMET25
BGLY55
BARG56
BLYS57
BTHR58
BLEU77
BSER78
BARG79
BSER94
BSER95
BILE96
BILE112
BGLY114
BALA115
BGLU116
BILE117
BTYR118
BGLU120
B18G202
BHOH327
BHOH348
BHOH358
BHOH373
BHOH387
BHOH397
BHOH409
BHOH452

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 18G B 202
ChainResidue
BTHR58
BSER61
BPRO63
BILE112
BTYR118
BNDP201
BILE9
BVAL10
BALA11
BGLU32
BPHE36

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 203
ChainResidue
ALYS3
BASP105
BHOH308
BHOH337
BHOH462
BHOH469

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

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PDB entries from 2024-07-24

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