Target+-+Glyceraldehyde-3-phosphate+dehydrogenase+(T.+Brucei)

**Druggability: 0.8** **[|DNAWorks Output File]**
 * Organism: [|Trypanosoma Brucei] **
 * Target: [|Glyceraldehyde-3-phosphate Dehydrogenase] **
 * NCBI GENE # or RefSeq#: [|3658068] **
 * EC #: [|1.2.1.12] **
 * Length of Protein: **359 residues
 * Total Size of Gene: **1080 nt
 * Molecular Weight: ** 39048 Da
 * Essentiality:** [|Glycolysis as a target for the design of new anti-trypanosome drugs]




 * Assay:** https://docs.google.com/open?id=0B4O2KqKh2q_-RmNhM1U1VXpLY2M
 * Cost of Assay:** https://docs.google.com/open?id=0B4O2KqKh2q_-SU53NTR5UFJMYWs

 Use these to find active site: [|3CIF], [|3CMC], [|1NQA] Forward: TACTTCCAATCCATG __ ACCATCAAAGTTGGCATT __ Reverse:
 * What || Cost || What you get || Concentration || Product # ||
 * Triethanolamine hydrochloride || 29.8 || 100g ||  || T1502 ||
 * D-(−)-3-Phosphoglyceric acid disodium salt || 13 |||| only 10mg, the next step up is 1g for 230ish || P8752 ||
 * L-Cysteine Hydrochloride || 8.7 |||| .5g (might needs more) || C7880 ||
 * Sodium Bicarbonate || 33 || 500g ||  || S8875 ||
 * β-Nicotinamide adenine dinucleotide, reduced disodium salt hydrate || 22.6 || 50mg ||  || N8129 ||
 * Adenosine 5′-triphosphate disodium salt hydrate || 64 || 1g ||  || A7699 ||
 * 3-Phosphoglyceric Phosphokinase || 53 || 2KU ||  || P7634 ||
 * Glyceraldehyde-3-Phosphate Dehydrogenase Enzyme Solution || 38 || 500 units ||  || G2267 ||

TATCCACCTTTACTGTTA__CAGCTTTGCAGCACGGTC__ Primer Melting Temperatures:
 * Upstream |||| mM Mg++ ||  ||   ||   ||
 * ||  || 0 || 1.5 || 2 || 4 || 6 ||
 * bp || 20 || 61.6 || 69.4 || 70 || 71 || 71.5 ||
 * || 19 || 61.5 || 69.3 || 69.8 || 70.8 || 71.3 ||
 * || 18 || 61.9 || 69.6 || 70.1 || 71.2 || 71.7 ||

Active Site Coordinates: X: 70.858 Y: 20.161 Z: 48.768 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49791969&loc=ec_rcs Original substrate
 * Downstream |||| mM Mg++ ||  ||   ||   ||
 * ||  || 0 || 1.5 || 2 || 4 || 6 ||
 * bp || 20 || 67.2 || 74.2 || 74.7 || 75.4 || 75.8 ||
 * || 19 || 66.1 || 73.2 || 73.6 || 74.5 || 74.9 ||
 * || 18 || 65.2 || 72.3 || 72.8 || 73.7 || 74.1 ||

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9875131 Found from bindingdb with a Ki of 2000nM

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=945&loc=ec_rcs found from http://www.sciencedirect.com/science/article/pii/S0003986105003048 Article says IC50 of 0.25uM

http://pubs.acs.org/doi/abs/10.1021/bi00167a028 Gives http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=282522&loc=ec_rcs http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=124361&loc=ec_rcs and "compound 6"

http://ajpheart.physiology.org/content/299/4/H1212 gives http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3359494

Similar properties molecules: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=608994 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44118637 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18982105 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=302629
 * Compound || CID || MW || logP || Rotatable Bonds || Polar Surface Area || H Donors || H Acceptors ||
 * 3-phosphoglycerate || 49791969 || 182 || -2.1 || 2 || 133 || 1 || 7 ||
 * SureCN4142096 || 9875131 || 342 || 7.6 || 13 || 57.5 || 2 || 3 ||
 * nitroxyl || 945 || 31 || 0.2 || 0 || 40.9 || 1 || 2 ||
 * arenaemycin E || 282522 || 276 || 0.6 || 1 || 76.1 || 1 || 5 ||
 * heptelidic acid || 124361 || 280 || 1.4 || 2 || 76.1 || 1 || 5 ||
 * S-nitrosocysteine || 3359494 || 150 || -3.4 || 3 || 118 || 2 || 6 ||
 * Average ||  || 210.1667 || 0.716667 || 3.5 || 83.6 || 1.333333 || 4.66666667 ||
 * Average ||  || 210.1667 || 0.716667 || 3.5 || 83.6 || 1.333333 || 4.66666667 ||

Orthovanadate http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61671&loc=ec_rcs http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=417214&loc=ec_rcs

Random Molecules http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2164322 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25220527 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23112839 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=28172316 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16791980 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=573460 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10419304 http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=43351077