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4HOF

Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H)

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 Residues35
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
A18H202
AHOH331
AHOH340
AHOH350
AHOH369
AILE19
AHOH394
AHOH397
AHOH406
AHOH411
AHOH425
AHOH435
AGLY20
AGLY23
ALYS24
AMET25
ALYS31
AGLY55

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 18H A 202
ChainResidue
AILE9
AVAL10
AALA11
AMET25
AGLU32
APHE36
ATHR58
ASER61
AILE62
APRO63
APHE66
AILE112
ATYR118
ANDP201

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
AHOH309
AHOH311
AHOH313
AHOH360

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 205
ChainResidue
AGLU60
AGLN64
AARG67
AHOH351

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 206
ChainResidue
ASER80
ATYR81
AGLU82
AGLU84
AHIS92
AHOH365
AHOH426

site_idAC7
Number of Residues35
DetailsBINDING SITE FOR RESIDUE NDP B 201
ChainResidue
BHOH345
BHOH350
BHOH372
BHOH388
BHOH402
BHOH424
BHOH427
BHOH430
BHOH444
BHOH471
BVAL10
BALA11
BILE19
BGLY20
BGLY23
BLYS24
BMET25
BGLY55
BARG56
BLYS57
BTHR58
BLEU77
BSER78
BARG79
BSER94
BSER95
BILE96
BILE112
BGLY114
BALA115
BGLU116
BILE117
BTYR118
BGLU120
B18H202

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 18H B 202
ChainResidue
BILE9
BVAL10
BALA11
BMET25
BGLU32
BPHE36
BSER61
BPRO63
BILE112
BTYR118
BNDP201

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 203
ChainResidue
ALYS3
AHOH455
BLEU102
BSER104
BASP105
BHOH304
BHOH335
BHOH482

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 2024-07-10

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