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3JWC

Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)

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 Residues28
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
AHOH164
AHOH167
AEKB208
AHOH217
AILE15
AGLY16
AASN19
AASN20
ALEU21
AGLY44
AARG45

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

site_idAC3
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NDP B 207
ChainResidue
BVAL7
BALA8
BILE15
BGLY16
BASN19
BASN20
BLEU21
BTRP23
BGLY44
BARG45
BLYS46
BLYS46
BASN47
BVAL63
BTHR64
BARG65
BHIS78
BPHE96
BGLY97
BGLY98
BALA99
BGLN100
BILE101
BLEU104
BHOH163
BHOH170
BHOH180
BHOH185
BEKB208
BHOH210

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE EKB B 208
ChainResidue
BMET6
BVAL7
BALA8
BTRP23
BGLU28
BVAL32
BASN47
BILE51
BPHE96
BNDP207

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 2024-07-17

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