PDB Information

PDB4ISK
MethodX-RAY DIFFRACTION
Host OrganismEscherichia coli
Gene SourceEscherichia coli
Primary Citation
Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells.
Tochowicz, A., Dalziel, S., Eidam, O., O'Connell, J.D., Griner, S., Finer-Moore, J.S., Stroud, R.M.
J.Med.Chem.
HeaderTransferase/Transferase Inhibitor
Released2013-01-16
Resolution1.750
CATH Insert Date05 Jan, 2014

PDB Images (17)

PDB Prints

PDB Chains (8)

Chain ID Date inserted into CATH CATH Status
A 06 Jan, 2014 Chopped
B 06 Jan, 2014 Chopped
C 06 Jan, 2014 Chopped
D 06 Jan, 2014 Chopped
E 06 Jan, 2014 Chopped
F 06 Jan, 2014 Chopped
G 06 Jan, 2014 Chopped
H 06 Jan, 2014 Chopped

CATH Domains (8)

Domain ID Date inserted into CATH Superfamily CATH Status
4iskA00 09 Jan, 2014 3.30.572.10 Assigned
4iskB00 09 Jan, 2014 3.30.572.10 Assigned
4iskC00 09 Jan, 2014 3.30.572.10 Assigned
4iskD00 09 Jan, 2014 3.30.572.10 Assigned
4iskE00 09 Jan, 2014 3.30.572.10 Assigned
4iskF00 09 Jan, 2014 3.30.572.10 Assigned
4iskG00 09 Jan, 2014 3.30.572.10 Assigned
4iskH00 09 Jan, 2014 3.30.572.10 Assigned

UniProtKB Entries (8)

Accession Gene ID Taxon Description
P0A884 TYSY_ECOLI Escherichia coli K-12 Thymidylate synthase
P0A884 TYSY_ECOLI Escherichia coli K-12 Thymidylate synthase
P0A884 TYSY_ECOLI Escherichia coli K-12 Thymidylate synthase
P0A884 TYSY_ECOLI Escherichia coli K-12 Thymidylate synthase
P0A884 TYSY_ECOLI Escherichia coli K-12 Thymidylate synthase
P0A884 TYSY_ECOLI Escherichia coli K-12 Thymidylate synthase
P0A884 TYSY_ECOLI Escherichia coli K-12 Thymidylate synthase
P0A884 TYSY_ECOLI Escherichia coli K-12 Thymidylate synthase