WATER-MEDIATED SUBSTRATE(SLASH)PRODUCT DISCRIMINATION: THE P COMPLEX OF THYMIDYLATE SYNTHASE AT 1.83 ANGSTROMS
PDB id Source Resolution
1TYS ESCHERICHIA COLI 1.8 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
TMP Valid submit data   launch gocavviewer-lite   322.208
C10 H15 N2 O8 P
 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
DHF Valid Kd =  3.27 uM   launch gocavviewer-lite   443.413
C19 H21 N7 O6
 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N

WATER-MEDIATED SUBSTRATE/PRODUCT DISCRIMINATION: TH COMPLEX OF THYMIDYLATE SYNTHASE AT 1.83 A. BIOCHEMISTRY V. 33 1502 1994

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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