Rv2538c

Tuberculist information
Gene namearoB
Protein function3-dehydroquinate synthase AroB
Functional category(tuberculist)intermediary metabolism and respiration
Gene location(kb)2861.59
Molecular mass(da)38119.1
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 362
	  		  	1    MTDIGAPVTVQVAVDPPYPVVIGTGLLDELEDLLADRHKVAVVHQPGLAETAEEIRKRLA   60
			  	61   GKGVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATW  120
			  	121  LRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEM  180
			  	181  ICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAADEKESE  240
			  	241  LREILNYGHTLGHAIERRERYRWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSS  300
			  	301  LGLPVSYDPDALPQLLEIMAGDKKTRAGVLRFVVLDGLAKPGRMVGPDPGLLVTAYAGVC  360
			  	361  AP

Known structures in the PDB
PDB ID3QBD
Total residue count736
Number of chains2
MethodX-RAY
Resolution2.47
PDB ID3QBE
Total residue count368
Number of chains1
MethodX-RAY
Resolution2.07
1 37 73 109 145 181 217 253 289 325 361 Range: 68 to 326  |  Coverage: 71% DHQ_synthase Range: 9 to 358  |  Coverage: 96% 1 Range: 68 to 326  |  Coverage: 71% 1 Range: 6 to 362  |  Coverage: 98% 2 Range: 17 to 176  |  Coverage: 43% 3
Number of amino acids : 362
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
DHQ_synthasePF0176168-326
Mtb Structural Proteome models
Model Number1
Model nameRv2538c
Template1UJN    APDBCREDO
Template coverage3_336
Template Identity(%)40.0
Model coverage(%)96.4
Normalized DOPE score-0.53

Structure Models from Chopin
Model Number1
Profilee.22.1.1
Click for model details
zscore54.61
Residue begin68
Residue end326
Model Number2
Profilee.22.1.1
Click for model details
zscore54.52
Residue begin6
Residue end362
Model Number3
Profile3.40.50.1970
Click for model details
zscore16.92
Residue begin17
Residue end176
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv2538cGene nameConfidence Score
Rv3227aroA0.999
Rv2537caroD0.999
Rv2539caroK0.999
Rv2540caroF0.999
Rv2552caroE0.999
Rv2552caroE0.999
Rv3754tyrA0.989
Rv3838cpheA0.983
Rv3838cpheA0.983
Rv2178caroG0.98
Rv3708casd0.958
Rv3708casd0.958
Rv2192ctrpD0.945
Rv2192ctrpD0.945
Rv1612trpB0.942
Rv1611trpC0.94
Rv1609trpE0.936
Rv1609trpE0.936
Rv2678chemE0.926
Rv0006gyrA0.92
Rv0006gyrA0.92
Rv0013trpG0.916
Rv1613trpA0.916
Rv1133cmetE0.913
Rv3336ctrpS0.913
Rv1133cmetE0.913
Rv1656argF0.91
Rv1656argF0.91
Rv1408rpe0.907
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
3-dehydroquinatePubChem0.989190.151
DAHPPubChem0.983288.146
phosphatePubChem0.96996.9872
phosphoenolpyruvatePubChem0.958168.042
erythrose 4-phosphatePubChem0.952200.084
3-dehydroshikimatePubChem0.948172.135
D-erythrose 4-phosphatePubChem0.932200.084
hydroxyl radicalsPubChem0.917.0073
NAD+PubChem0.799663.425
quinic acidPubChem0.796192.167
zincPubChem0.79465.409
chloridePubChem0.79335.453
DB02592PubChem0.793270.174
CrbPubChem0.755270.174
3,4-dihydroxy-2-butanone 4-phosphatePubChem0.721184.084