CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE R166Q MUTANT
PDB id Source Resolution
1FWM ESCHERICHIA COLI 2.2 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
CB3 Valid submit data   launch gocavviewer-lite   477.469
C24 H23 N5 O6
 C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
SO4 Invalid            

CRYSTAL STRUCTURES OF THYMIDYLATE SYNTHASE MUTANT R STRUCTURAL BASIS FOR THE NEARLY COMPLETE LOSS OF CA ACTIVITY. J.BIOCHEM.MOL.TOXICOL. V. 20 88 2006

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90% Homology Family

The Class containing this family consists of a total of 6 families.
Leader:    1SYN
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH
BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
PDB id Binding data Representative ligand
1SYN Kd = 0.1 nM F89
1AIQ   CB3
1AOB   DDU
1AXW   MTX
1BDU   DUR
1BID   UMP
1BJG   TMF
1BQ1   CB3
1DDU   CB3
1DNA   CB3
1F4E Ki = 1.1 mM TPR
1F4F Ki = 24.0 uM TP3
1F4G Ki = 330.0 nM TP4
1FWM   CB3
1JG0 ic50 = 5.0 uM DDT
1JTQ   LY3
1JTU   LYB
1KCE   CB3
1KZI   THG
1NCE   CB3
1TDU   CB3
1TLC Kd = 0.076 uM DGP
1TRG   CB3
1TSD Kd = 0.04 uM U18
1TYS Kd = 3.27 uM DHF
1ZPR   CB3
2A9W Ki = 4.1 uM GA9
2BBQ   PFG
2FTO   CB3
2G8O   CB3
2KCE Ki = 0.67 uM D16
2TSC   CB3
2VET   UMP