Rv0414c

Tuberculist information
Gene namethiE
Protein functionThiamine-phosphate pyrophosphorylase ThiE (TMP pyrophosphorylase) (TMP-PPASE) (thiamine-phosphate synthase)
Functional category(tuberculist)intermediary metabolism and respiration
Gene location(kb)500.35
Molecular mass(da)23239.3
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 222
	  		  	1    VHESRLASARLYLCTDARRERGDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDE   60
			  	61   LAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRS  120
			  	121  THDPDQVAAAAAGDADYFCVGPCWPTPTKPGRAAPGLGLVRVAAELGGDDKPWFAIGGIN  180
			  	181  AQRLPAVLDAGARRIVVVRAITSADDPRAAAEQLRSALTAAN

Known structures in the PDB
PDB ID3O63
Total residue count486
Number of chains2
MethodX-RAY
Resolution2.35
1 23 45 67 89 111 133 155 177 199 221 Range: 11 to 201  |  Coverage: 85% TMP-TENI Range: 10 to 219  |  Coverage: 94% 1 Range: 1 to 222  |  Coverage: 99% 1
Number of amino acids : 222
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
TMP-TENIPF0258111-201
Mtb Structural Proteome models
Model Number1
Model nameRv0414c
Template2TPS    APDBCREDO
Template coverage27_229
Template Identity(%)30.0
Model coverage(%)93.7
Normalized DOPE score-0.722

Structure Models from Chopin
Model Number1
Profilec.1.3.1 - 3.20.20.70
Click for model details
zscore41.53
Residue begin1
Residue end222
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv0414cGene nameConfidence Score
Rv0417thiG0.999
Rv0422cthiD0.999
Rv0423cthiC0.999
Rv0423cthiC0.999
Rv2977cthiL0.995
Rv2977cthiL0.995
Rv0415thiO0.956
Rv2682cdxs10.91
Rv2682cdxs10.91
Rv2682cdxs10.91
Rv1341Rv13410.907
Rv3116moeB20.905
Rv3116moeB20.905
Rv3116moeB20.905
Potential ligand/drug binding sites
No binding sites identified
Similarity to known drug target from sensitive sequence analysis
No drug targets
List of small molecules tested from TIBLE
Data not available
Off-target activity - ligand based from TIBLE
Data not available
Small molecules involved in protein-protein complex from TIMBAL .Proteins similar to Mtb based on sequence analysis.
Data not available
STITCH interactions  
Chemical NameConfidence scoreMolecular Weight
thiamine monophosphatePubChem0.989345.334
pyrophosphatePubChem0.981177.975
4-methyl-5-(beta-hydroxyethyl)thiazolePubChem0.965143.207
thiamine pyrophosphatePubChem0.963425.314
4-methyl-5-(beta-hydroxyethyl)thiazole phosphatePubChem0.958223.187
dehydroglycinePubChem0.973.0507
H(+)PubChem0.92.01588
deuteriumPubChem0.92.01588
4-hydroxybenzyl alcoholPubChem0.9124.137
hydroxymethylpyrimidine phosphatePubChem0.9219.135
adenosine triphosphatePubChem0.9507.181
1-deoxy-D-xylulose 5-phosphatePubChem0.9214.11
protiumPubChem0.92.01576
adenosine diphosphatePubChem0.9427.201
HMP-PPPubChem0.9299.115
carbon dioxidePubChem0.944.0095
thiaminePubChem0.738265.355