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1AO8

DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE, NMR, 21 STRUCTURES

Functional Information from GO Data
ChainGOidnamespacecontents
A0004146molecular_functiondihydrofolate reductase activity
A0005829cellular_componentcytosol
A0046452biological_processdihydrofolate metabolic process
A0046654biological_processtetrahydrofolate biosynthetic process
A0046655biological_processfolic acid metabolic process
A0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE MTX A 170
ChainResidue
ALEU4
APHE49
AARG57
AALA97
ATHR116
ATRP5
AALA6
ALEU19
AASP26
ALEU27
APHE30
AARG31
ASER48

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. LIGkdghLPWhlpd.DlhyFraqT
ChainResidueDetails
ALEU12-THR34

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues159
DetailsDomain: {"description":"DHFR","evidences":[{"source":"PROSITE-ProRule","id":"PRU00660","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues6
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"6815179","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues18
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"6815179","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsSite: {"description":"May be important for enzyme function"}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1dhf
ChainResidueDetails
ALEU19
AASP26

site_idMCSA1
Number of Residues9
DetailsM-CSA 112
ChainResidueDetails
ALEU4steric role
ALEU19enhance reactivity
ATRP21activator, hydrogen bond donor
AASP26hydrogen bond acceptor, modifies pKa
ALEU27steric locator
APHE30steric locator
ALEU54steric locator
ALEU94steric role
ATHR116electrostatic stabiliser, hydrogen bond donor

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PDB entries from 2026-04-01

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