Table 2

Gene/PDB linkage

cross-references of gene data with the PDB and the underlying NSC compounds, and its associated PDB ligand. The expectation value of the alignment of the GenBank EST from the Unigene clustering of ESTs with the PDB sequence is given in the fourth column. The Tanimoto coefficient between the NSC compound and the PDB ligand is given in the last column. The PDB ligands associated with the protein structures are STO, ANP 5′-adenyly-imido-triphosphate, DHT, AND 3-beta-hydroxy-5-androsten-17-one, QUE 3,5,7,3′,4′-pentahydroxyflavone (quercetin), VK3 menadione, OBA 2-(oxalyl-amino)-benzoic acid, PLH methylamino-phenylanalyl-leucyl-hydroxamate, AZE axerophthene, IU5 iso-ursodeoxycholic acid and ALD carbobenzyloxylleucinyl-leucinyl-leucinal.
GeneESTPDBE-valueNSCLigTan
CAMK1aL418161STC1.1e-27618487STO1.00
MAP2K4aL368701STC4.4e-09645327STO0.75
PDGFRAaM215742SRC1.4e-25672971ANP0.93
BDHaM931071DHT1.3e-1392227DHT0.86
BDHaM931073DHE1.3e-1392227AND0.83
PRKCB1aX071092HCK8.2e-07169517QUE0.82
DIA4bJ039342QR21.0e-4411897VK30.89
DIA4bJ039342QR21.0e-44651207VK30.76
PTPRCbY000621C858.1e-35635526OBA0.79
MMP1bX052311MNC1.4e-41672675PLH0.76
APODbJ026111FEN1.6e-06122759AZE0.75
ADH5cM304711DDA2.9e-10049452IU50.75
CTSHcX168321BP41.5e-24679678ALD0.84
  • a Millennium and Stanford dataset.

  • b Millennium and Whitehead dataset.

  • c Stanford and Whitehead dataset.