Rv1082

Tuberculist information
Gene namemca
Protein functionMycothiol conjugate amidase Mca (mycothiol S-conjugate amidase)
Functional category(tuberculist)virulence,detoxification and adaptaion
Gene location(kb)1206.52
Molecular mass(da)32699.7
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 288
	  		  	1    VSELRLMAVHAHPDDESSKGAATLARYADEGHRVLVVTLTGGERGEILNPAMDLPDVHGR   60
			  	61   IAEIRRDEMTKAAEILGVEHTWLGFVDSGLPKGDLPPPLPDDCFARVPLEVSTEALVRVV  120
			  	121  REFRPHVMTTYDENGGYPHPDHIRCHQVSVAAYEAAGDFCRFPDAGEPWTVSKLYYVHGF  180
			  	181  LRERMQMLQDEFARHGQRGPFEQWLAYWDPDHDFLTSRVTTRVECSKYFSQRDDALRAHA  240
			  	241  TQIDPNAEFFAAPLAWQERLWPTEEFELARSRIPARPPETELFAGIEP

Known structures in the PDB
No Known structures
1 29 57 85 113 141 169 197 225 253 281 Range: 7 to 153  |  Coverage: 50% PIG-L Range: 2 to 287  |  Coverage: 98% 1 Range: 2 to 288  |  Coverage: 99% 1
Number of amino acids : 288
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
PIG-LPF025857-153
Mtb Structural Proteome models
Model Number1
Model nameRv1082
Template1Q74    APDBCREDO
Template coverage3_297
Template Identity(%)33.3
Model coverage(%)99.0
Normalized DOPE score-0.032

Structure Models from Chopin
Model Number1
Profilec.134.1.1 - 3.40.50.10320
Click for model details
zscore38.89
Residue begin2
Residue end288
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv1082Gene nameConfidence Score
Rv1083Rv10830.977
Rv1084Rv10840.977
Rv1084Rv10840.977
Rv2130cmshC0.945
Rv3137Rv31370.914
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
CHEMBL194868IC50 = 185 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL194868IC50 = 185 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL194921IC50 = 2720 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL194921IC50 = 2720 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL197081IC50 = 35 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL197081IC50 = 35 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL231889Inhibition = 11 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL232091Inhibition = 13 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL232304Inhibition < 10 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL232305Inhibition = 15 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL232506Inhibition = 10 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL232696Inhibition = 44 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL232697Inhibition = 15 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL233916Inhibition = 26 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL238766IC50 = 33 uMInhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assayhttp://www.ncbi.nlm.nih.gov/pubmed/18020307
CHEMBL238782IC50 = 120 uMInhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assayhttp://www.ncbi.nlm.nih.gov/pubmed/18020307
CHEMBL238991IC50 = 145 uMInhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assayhttp://www.ncbi.nlm.nih.gov/pubmed/18020307
CHEMBL239416IC50 > 200 uMInhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assayhttp://www.ncbi.nlm.nih.gov/pubmed/18020307
CHEMBL311210IC50 = 90 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL311443IC50 ~ 1 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL312123IC50 = 35 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL312219IC50 = 185 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL314490IC50 = 2720 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL331627IC50 = 50 uMInhibition of Mycobacterium tuberculosis mycothiol-S-conjugate amidasehttp://www.ncbi.nlm.nih.gov/pubmed/20303767
CHEMBL371412IC50 = 90 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL371412IC50 = 90 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL391010IC50 > 200 uMInhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assayhttp://www.ncbi.nlm.nih.gov/pubmed/18020307
CHEMBL393366Inhibition = 13 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL393367Inhibition = 46 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL393566Inhibition < 10 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL399182Inhibition = 16 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL399622Inhibition = 13 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL427668Inhibition = 15 %Inhibition of Mycobacterium tuberculosis MCA at 50 uMhttp://www.ncbi.nlm.nih.gov/pubmed/17084627
CHEMBL428030IC50 = 90 uMInhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assayhttp://www.ncbi.nlm.nih.gov/pubmed/18020307
CHEMBL512683IC50 = 70 uMInhibition of Mycobacterium tuberculosis mycothiol-S-conjugate amidasehttp://www.ncbi.nlm.nih.gov/pubmed/20303767
CHEMBL79418IC50 = 26 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL79781IC50 = 2.8 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL81695IC50 = 37 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL81748IC50 = 450 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL82170IC50 = 2 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL82412IC50 = 20 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL82521IC50 = 100 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL82570IC50 ~ 1 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL83747IC50 = 2.8 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL83747IC50 = 2.8 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL83747IC50 = 2.8 uMInhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)http://www.ncbi.nlm.nih.gov/pubmed/16134928
CHEMBL83995IC50 = 36 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CHEMBL85501IC50 = 65 uMInhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosishttp://www.ncbi.nlm.nih.gov/pubmed/12161164
CDD-340419NoneNoneNone
CDD-340421NoneNoneNone
CDD-340423NoneNoneNone
CDD-340426NoneNoneNone
CDD-340427NoneNoneNone
CDD-340428NoneNoneNone
Off-target activity - ligand based from TIBLE
  View results in TIBLE page
Predicted off-targetMethodSummaryFull results
3-phosphoinositide-dependent protein kinase 1 2PE1PharmMapper3 hydroph + 4 HB + 0 pos/neg + 0 aromLink
Aldo-keto reductase family 1 member C3 1RY0PharmMapper4 hydroph + 2 HB + 1 pos/neg + 0 aromLink
Peptidyl-prolyl cis-trans isomerase FKBP1A 1FKGPharmMapper4 hydroph + 3 HB + 0 pos/neg + 0 aromLink
Hepatocyte growth factor receptor 3F82PharmMapper8 hydroph + 3 HB + 0 pos/neg + 0 aromLink
Oxysterols receptor LXR-beta 1PQ6PharmMapper7 hydroph + 1 HB + 2 pos/neg + 0 aromLink
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
mycothiolPubChem0.972486.491
glucosaminyl inositolPubChem0.969342.32
monobromobimanePubChem0.959271.111
AcCySRPubChem0.906353.393
bromidePubChem0.979.904
Cpd1g-0PubChem0.9342.32
deuteriumPubChem0.92.01588
1gymPubChem0.9341.312
CPD1G-2PubChem0.9486.491
MSmBPubChem0.9676.69
H(+)PubChem0.92.01588
hydroxyl radicalsPubChem0.917.0073
protiumPubChem0.92.01576
GlcNAc-InsPubChem0.731383.348