Rv2130c

Tuberculist information
Gene namemshC
Protein functionCysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC
Functional category(tuberculist)intermediary metabolism and respiration
Gene location(kb)2391.22
Molecular mass(da)45594.5
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 414
	  		  	1    MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYV   60
			  	61   TFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRV  120
			  	121  LPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDR  180
			  	181  DTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSR  240
			  	241  IGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLV  300
			  	301  LVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDV  360
			  	361  VARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL

Known structures in the PDB
No Known structures
1 42 83 124 165 206 247 288 329 370 411 Range: 30 to 340  |  Coverage: 74% tRNA-synt_1e Range: 19 to 412  |  Coverage: 94% 1 Range: 332 to 414  |  Coverage: 19% 1
Number of amino acids : 414
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
tRNA-synt_1ePF0140630-340
Mtb Structural Proteome models
Model Number1
Model nameRv2130c
Template1LI5    APDBCREDO
Template coverage2_393
Template Identity(%)39.4
Model coverage(%)94.9
Normalized DOPE score0.152

Structure Models from Chopin
Model Number1
Profile1.20.120.640
Click for model details
zscore9.23
Residue begin332
Residue end414
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv2130cGene nameConfidence Score
Rv0819mshD0.989
Rv1170mshB0.983
Rv2992cgltS0.954
Rv1082mca0.945
Rv3834cserS0.928
Rv3834cserS0.928
Rv2335cysE0.907
Rv2335cysE0.907
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
  View results in TIBLE page
NameAffinityAssay descriptionDOI
CHEMBL1163057IC50 = 1.2 mMInhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLChttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL1163057Not ActiveBinding affinity to Mycobacterium tuberculosis recombinant MBP-tagged MshC by transferred NOESY analysishttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL1163057Not ActiveBinding affinity to Mycobacterium tuberculosis recombinant MBP-tagged MshC by STD-NMR analysishttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL1163070IC50 = 5 mMInhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLChttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL1163074Not ActiveBinding affinity to Mycobacterium tuberculosis recombinant MBP-tagged MshC by STD-NMR analysishttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL1163074IC50 = 50 nMInhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLChttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL1163074Kd = 48.5 nMBinding affinity to Mycobacterium tuberculosis recombinant MBP-tagged MshC by isothermal titration calorimetry assayhttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL1191824IC50 > 4 mMInhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLChttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL1300146IC50 = 0.71 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1300373IC50 = 0.8 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1329194IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1448727IC50 = 0.5 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1524507IC50 = 1.1 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1706296IC50 = 0.1 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1732897IC50 = 0.8 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1795352IC50 = 0.11 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1795953IC50 = 0.085 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1795954IC50 = 0.28 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1795955IC50 >= 1 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1795956IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1795957IC50 = 1.7 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796107IC50 = 0.5 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796108IC50 = 2.3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796109IC50 = 0.08 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796110IC50 = 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796111IC50 = 0.13 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796112IC50 = 0.15 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796113IC50 = 0.1 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796114IC50 = 0.1 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796115IC50 = 0.32 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796116IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796117IC50 = 2.5 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796118IC50 = 0.3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796119IC50 = 0.5 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796120IC50 = 1.7 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796121IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796122IC50 >= 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796123IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796124IC50 = 0.34 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796125IC50 = 0.33 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796126IC50 = 0.25 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796127IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796128IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796129IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796130IC50 = 2 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796131IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796132IC50 = 1.4 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL1796133IC50 > 3 mMInhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assayhttp://www.ncbi.nlm.nih.gov/pubmed/21665483
CHEMBL589366IC50 = 2.5 mMInhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLChttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL70590IC50 > 2 mMInhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLChttp://www.ncbi.nlm.nih.gov/pubmed/21392992
CHEMBL719IC50 > 5 mMInhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLChttp://www.ncbi.nlm.nih.gov/pubmed/21392992
Off-target activity - ligand based from TIBLE
  View results in TIBLE page
Predicted off-targetMethodSummaryFull results
Sulfotransferase 1A1 1LS6PharmMapper0 hydroph + 10 HB + 2 pos/neg + 0 aromLink
Glutathione S-transferase theta-2 3LJRPharmMapper3 hydroph + 6 HB + 2 pos/neg + 0 aromLink
Glutathione S-transferase P 1PGTPharmMapper2 hydroph + 9 HB + 3 pos/neg + 0 aromLink
Adenosine kinase 1BX4PharmMapper0 hydroph + 8 HB + 0 pos/neg + 0 aromLink
Glutathione S-transferase P 4GSSPharmMapper1 hydroph + 7 HB + 3 pos/neg + 0 aromLink
DNA synthesis  PASSPa = 0.832 & SM = CHEMBL1163074Link
Adenosine A1 receptor SEAE_value = 2.1e-45 & MaxTC = 0.58Link
S-Adenosyl-L-Homocysteine Hydrolase Inhibitor SEAE_value = 8.3e-42 & MaxTC = 0.45Link
Adenosine A3 receptor SEAE_value = 4.02e-39 & MaxTC = 0.56Link
Adenosine (A1) Agonist SEAE_value = 1.02e-37 & MaxTC = 0.44Link
Adenosine A2b receptor SEAE_value = 1.97e-36 & MaxTC = 0.56Link
Adenosine A2a receptor SEAE_value = 8.9e-36 & MaxTC = 0.59Link
adenosine A1 receptor SEAE_value = 1.34e-35 & MaxTC = 0.56Link
Adenosine (A2) Agonist SEAE_value = 5.03e-35 & MaxTC = 0.42Link
phosphoglycerate kinase [-] SEAE_value = 8.73e-35 & MaxTC = 0.56Link
P3 purinoceptor; P3 purinoceptor-like protein [-] SEAE_value = 1.57e-31 & MaxTC = 0.57Link
Adenosylhomocysteinase SEAE_value = 2.11e-29 & MaxTC = 0.5Link
S-adenosyl-L-homocysteine hydrolase [-] SEAE_value = 4.13e-28 & MaxTC = 0.56Link
adenosine A2 receptor SEAE_value = 5.63e-28 & MaxTC = 0.56Link
Phospholipase D2 SEAE_value = 1.27e-26 & MaxTC = 0.37Link
Dopamine D3 receptor SEAE_value = 3.08e-26 & MaxTC = 0.37Link
adenosine A2A receptor SEAE_value = 5.91e-22 & MaxTC = 0.54Link
Phospholipase D1 SEAE_value = 1.31e-21 & MaxTC = 0.34Link
glycosomal glyceraldehyde-3-phosphate dehydrogenase [-] SEAE_value = 7.67e-21 & MaxTC = 0.59Link
Adenosine A3 receptor SEAE_value = 2.16e-19 & MaxTC = 0.59Link
P2Y12 platelet ADP receptor; P2YC purinoceptor 12 [-] SEAE_value = 7.26e-19 & MaxTC = 0.55Link
P2Y purinoceptor 1 [+] SEAE_value = 2.18e-18 & MaxTC = 0.58Link
P2Y purinoceptor [-] SEAE_value = 2.38e-18 & MaxTC = 0.57Link
adenylyl cyclase type V [-] SEAE_value = 2.8e-18 & MaxTC = 0.4Link
Human rhinovirus A protease SEAE_value = 1.08e-17 & MaxTC = 0.38Link
P2Y purinoceptor SEAE_value = 1.31e-17 & MaxTC = 0.57Link
SARS coronavirus 3C-like proteinase SEAE_value = 2.08e-17 & MaxTC = 0.36Link
Equilibrative nucleoside transporter 1 SEAE_value = 2.61e-17 & MaxTC = 0.38Link
rRNA [-] SEAE_value = 2.86e-17 & MaxTC = 0.46Link
Adenosine A1 receptor SEAE_value = 3.64e-17 & MaxTC = 0.54Link
Adenosylhomocysteinase SEAE_value = 6.94e-17 & MaxTC = 0.57Link
2-5A-dependent ribonuclease; ribonuclease L SEAE_value = 3.61e-16 & MaxTC = 0.49Link
adenosine kinase; adenosine 5-phosphotransferase SEAE_value = 4.86e-15 & MaxTC = 0.56Link
adenosine A2 receptor [+] SEAE_value = 6.95e-15 & MaxTC = 0.56Link
adenosine A1 receptor [-] SEAE_value = 7.13e-15 & MaxTC = 0.66Link
Alcohol dehydrogenase alpha chain SEAE_value = 1.02e-14 & MaxTC = 0.49Link
Dopamine D3 receptor SEAE_value = 2.29e-14 & MaxTC = 0.37Link
glutamate dehydrogenase [-] SEAE_value = 2.85e-14 & MaxTC = 0.49Link
S-adenosyl-L-homocysteine hydrolase SEAE_value = 6.09e-14 & MaxTC = 0.49Link
putrescine aminopropyltransferase; spermidine synthase [-] SEAE_value = 8.9e-14 & MaxTC = 0.47Link
ectonucleoside triphosphate diphosphohydrolase 1 [-] SEAE_value = 1.82e-13 & MaxTC = 0.55Link
2-5A-dependent ribonuclease; ribonuclease L [-] SEAE_value = 3.63e-13 & MaxTC = 0.5Link
adenosine A2A receptor [-] SEAE_value = 3.63e-13 & MaxTC = 0.66Link
prenylcysteine carboxyl methyltransferase; prenylated protein carboxyl methyltransferase [-] SEAE_value = 5.45e-13 & MaxTC = 0.53Link
Dopamine D4 receptor SEAE_value = 5.92e-13 & MaxTC = 0.41Link
poly(ADP-ribose) glycohydrolase [-] SEAE_value = 6.72e-12 & MaxTC = 0.49Link
serotonin N-acetyltransferase; aralkylamine N-acetyltransferase; melatonin rhythm enzyme [-] SEAE_value = 9.81e-12 & MaxTC = 0.38Link
adenylyl cyclase type I [-] SEAE_value = 1.44e-11 & MaxTC = 0.56Link
adenosine A3 receptor SEAE_value = 2.27e-11 & MaxTC = 0.54Link
adenosine A2 receptor [-] SEAE_value = 2.42e-11 & MaxTC = 0.54Link
P2Y purinoceptor 1 SEAE_value = 3.29e-11 & MaxTC = 0.57Link
S-Adenosyl-L-methionine Decarboxylase Inhibitor SEAE_value = 3.6e-11 & MaxTC = 0.51Link
Trypanothione reductase SEAE_value = 5.83e-11 & MaxTC = 0.35Link
adenosine A2B receptor [+] SEAE_value = 9.51e-11 & MaxTC = 0.54Link
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
MA8PubChem0.963444.455
desacetylmycothiolPubChem0.963445.463
glucosaminyl inositolPubChem0.962342.32
mycothiolPubChem0.958486.491
half-cystinePubChem0.926121.158
pyrophosphatePubChem0.902177.975
1gymPubChem0.9341.312
CPD1G-2PubChem0.9486.491
Cpd1g-0PubChem0.9342.32
acetatePubChem0.959.044
deuteriumPubChem0.92.01588
cysteinatePubChem0.9121.158
adenosine monophosphatePubChem0.9347.221
Co-APubChem0.9767.534
coenzyme APubChem0.9767.534
protiumPubChem0.92.01576
GlcNAc-InsPubChem0.9383.348
acetyl coenzyme-APubChem0.9809.571
1-adgmiPubChem0.9383.348
acetyl-CoAPubChem0.9809.571
hydroxyl radicalsPubChem0.917.0073
H(+)PubChem0.92.01588
adenosine triphosphatePubChem0.9507.181