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3DAT

Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase

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
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE MTX A 201
ChainResidue
AMET6
ALEU55
AARG58
APHE96
ATYR102
ATHR115
ANDP202
AHOH229
AVAL7
AALA8
ALEU21
AGLU28
ALEU29
AVAL32
AILE51
AARG53

site_idAC2
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NDP A 202
ChainResidue
AVAL7
AALA8
AILE15
AASN19
AASN20
ALEU21
ATRP23
AGLY44
AARG45
ALYS46
AASN47
AVAL63
ATHR64
AARG65
AHIS78
APHE96
AGLY97
AGLY98
AALA99
AGLN100
AILE101
ATYR102
ALEU104
ATHR125
AMTX201
AHOH212
AHOH224

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

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1dhf
ChainResidueDetails
AGLU28
ALEU21

223532

PDB entries from 2024-08-07

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