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5ECX

Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(6-(pyridin-4-yl)benzo[d][1,3]dioxol-4-yl)but-1-yn-1-yl)pyrimidine-2,4-diamine

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004146molecular_functiondihydrofolate reductase activity
A0005829cellular_componentcytosol
A0016491molecular_functionoxidoreductase activity
A0046452biological_processdihydrofolate metabolic process
A0046654biological_processtetrahydrofolate biosynthetic process
A0046655biological_processfolic acid metabolic process
A0050661molecular_functionNADP binding
B0000166molecular_functionnucleotide binding
B0004146molecular_functiondihydrofolate reductase activity
B0005829cellular_componentcytosol
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 Residues28
Detailsbinding site for residue NAP A 201
ChainResidue
AVAL6
AARG44
ALYS45
ATHR46
AVAL61
ATHR62
AARG63
ASER64
APRO77
ASER78
AILE79
AALA7
ASER96
AGLY98
AGLY99
AGLU100
AILE101
ATYR102
A5N1202
AHOH302
AHOH315
AILE14
AGLY15
AGLY17
APRO18
AASP19
AILE20
AGLY43

site_idAC2
Number of Residues12
Detailsbinding site for residue 5N1 A 202
ChainResidue
AMET5
AVAL6
AALA7
AGLU27
AGLN28
APHE31
ALYS32
ASER49
AMET50
ATYR102
ASER115
ANAP201

site_idAC3
Number of Residues29
Detailsbinding site for residue NAP B 201
ChainResidue
BVAL6
BALA7
BILE14
BGLY17
BPRO18
BASP19
BILE20
BTRP22
BGLY43
BARG44
BLYS45
BTHR46
BVAL61
BTHR62
BARG63
BSER64
BPRO77
BSER78
BSER96
BGLY98
BGLY99
BGLU100
BILE101
BTYR102
BGLU129
B5N1202
BHOH301
BHOH321
BHOH332

site_idAC4
Number of Residues17
Detailsbinding site for residue 5N1 B 202
ChainResidue
ALYS103
BMET5
BVAL6
BALA7
BILE20
BGLU27
BGLN28
BPHE31
BLYS32
BTHR46
BSER49
BMET50
BLEU53
BTYR102
BSER115
BNAP201
BGOL203

site_idAC5
Number of Residues4
Detailsbinding site for residue GOL B 203
ChainResidue
BTRP22
BGLN28
B5N1202
BHOH331

site_idAC6
Number of Residues6
Detailsbinding site for residue GLV B 204
ChainResidue
AALA143
BASN37
BGLN38
BLYS57
BTHR90
BHOH318

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGngpdIPWsakg.EqllFkaiT
ChainResidueDetails
AVAL13-THR35

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PDB entries from 2024-05-15

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