Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

1E26

Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent.

Functional Information from GO Data
ChainGOidnamespacecontents
A0004146molecular_functiondihydrofolate reductase activity
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0006730biological_processone-carbon metabolic process
A0016491molecular_functionoxidoreductase activity
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 Residues23
DetailsBINDING SITE FOR RESIDUE NAP A 207
ChainResidue
AVAL11
ATHR61
AILE80
ATHR81
AARG82
AASN83
ALYS96
AILE123
AGLY124
AGLY125
AALA126
AALA12
AGLN127
ALEU128
ATYR129
AGPB208
AILE19
AASN23
ASER24
ALEU25
AGLY58
AARG59
ALYS60

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE GPB A 208
ChainResidue
AILE10
AVAL11
AALA12
ALEU25
AGLU32
AILE33
APHE36
ALYS37
APHE69
AARG75
AILE123
ATHR144
ANAP207
AHOH2101

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGrsnsLPWklkk.EisyFkrvT
ChainResidueDetails
AGLY18-THR40

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000269|PubMed:10194348, ECO:0000269|PubMed:10736154, ECO:0000269|PubMed:12037296, ECO:0000269|PubMed:12198294, ECO:0000269|PubMed:17019704
ChainResidueDetails
AALA12
AGLY18
AARG59
ATHR81
AGLY124

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000305|PubMed:10194348
ChainResidueDetails
AGLU32
AARG75

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1dhf
ChainResidueDetails
ALEU25
AGLU32

219140

PDB entries from 2024-05-01

PDB statisticsPDBj update infoContact PDBjnumon