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3JW3

Crystal structure of Bacillus anthracis (F96I) dihydrofolate reductase complexed with NADPH and Trimethoprim

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
AILE96
AGLY97
AGLY98
AALA8
AALA99
AGLN100
AILE101
ATYR102
ALEU104
ATHR125
AHOH181
ATOP208
AILE15
AASN19
AASN20
ALEU21
ATRP23
AGLY44
AARG45

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TOP A 208
ChainResidue
AMET6
AVAL7
AALA8
AGLU28
AVAL32
AILE96
ATYR102
ANDP207

site_idAC3
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NDP B 207
ChainResidue
BVAL7
BALA8
BILE15
BASN19
BASN20
BTRP23
BGLY44
BARG45
BLYS46
BLYS46
BASN47
BVAL63
BTHR64
BARG65
BHIS78
BILE96
BGLY97
BGLY98
BALA99
BGLN100
BILE101
BTYR102
BLEU104
BTHR125
BHOH168
BHOH181
BTOP208

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TOP B 208
ChainResidue
BMET6
BVAL7
BALA8
BGLU28
BVAL32
BLEU55
BILE96
BTYR102
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 2024-07-24

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