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3JWF

Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (R)-2,4-diamino-5-(3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP113A)

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004146molecular_functiondihydrofolate reductase activity
A0006730biological_processone-carbon metabolic process
A0016491molecular_functionoxidoreductase activity
A0046654biological_processtetrahydrofolate biosynthetic process
A0046872molecular_functionmetal ion binding
A0050661molecular_functionNADP binding
B0000166molecular_functionnucleotide binding
B0004146molecular_functiondihydrofolate reductase activity
B0006730biological_processone-carbon metabolic process
B0016491molecular_functionoxidoreductase activity
B0046654biological_processtetrahydrofolate biosynthetic process
B0046872molecular_functionmetal ion binding
B0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NDP A 207
ChainResidue
AVAL7
ALYS46
ALYS46
AASN47
AVAL63
ATHR64
AARG65
AHIS78
APHE96
AGLY97
AGLY98
AALA8
AALA99
AGLN100
AILE101
ALEU104
ATHR125
AHOH165
AHOH203
A5WA208
AILE15
AGLY16
AASN19
AASN20
ALEU21
AGLY44
AARG45

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 5WA A 208
ChainResidue
AMET6
AVAL7
AALA8
AASN20
ALEU21
AGLU28
AVAL32
AASN47
AILE51
APHE96
ATHR115
ANDP207

site_idAC3
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NDP B 207
ChainResidue
BVAL7
BALA8
BILE15
BGLY16
BASN19
BASN20
BLEU21
BGLY44
BARG45
BLYS46
BLYS46
BASN47
BVAL63
BTHR64
BARG65
BHIS78
BPHE96
BGLY97
BGLY98
BALA99
BGLN100
BILE101
BLEU104
BHOH164
BHOH179
BHOH189
B5WA208

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 5WA B 208
ChainResidue
BMET6
BVAL7
BALA8
BGLU28
BVAL32
BASN47
BILE51
BPHE96
BTHR115
BNDP207
BHOH219

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGkdnnLPWrlps.ElqyVkktT
ChainResidueDetails
AVAL14-THR36

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PDB entries from 2024-07-24

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