Rv2855

Tuberculist information
Gene namemtr
Protein functionNADPH-dependent mycothiol reductase Mtr
Functional category(tuberculist)intermediary metabolism and respiration
Gene location(kb)3165.21
Molecular mass(da)49945.7
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 459
	  		  	1    METYDIAIIGTGSGNSILDERYASKRAAICEQGTFGGTCLNVGCIPTKMFVYAAEVAKTI   60
			  	61   RGASRYGIDAHIDRVRWDDVVSRVFGRIDPIALSGEDYRRCAPNIDVYRTHTRFGPVQAD  120
			  	121  GRYLLRTDAGEEFTAEQVVIAAGSRPVIPPAILASGVDYHTSDTVMRIAELPEHIVIVGS  180
			  	181  GFIAAEFAHVFSALGVRVTLVIRGSCLLRHCDDTICERFTRIASTKWELRTHRNVVDGQQ  240
			  	241  RGSGVALRLDDGCTINADLLLVATGRVSNADLLDAEQAGVDVEDGRVIVDEYQRTSARGV  300
			  	301  FALGDVSSPYLLKHVANHEARVVQHNLLCDWEDTQSMIVTDHRYVPAAVFTDPQIAAVGL  360
			  	361  TENQAVAKGLDISVKIQDYGDVAYGWAMEDTSGIVKLITERGSGRLLGAHIMGYQASSLI  420
			  	421  QPLIQAMSFGLTAAEMARGQYWIHPALPEVVENALLGLR

Known structures in the PDB
PDB ID2GWR
Total residue count238
Number of chains1
MethodX-RAY
Resolution2.1
PDB ID2JSC
Total residue count236
Number of chains2
MethodNMR
ResolutionN/A
PDB ID3NHZ
Total residue count500
Number of chains4
MethodX-RAY
Resolution2.5
1 46 91 136 181 226 271 316 361 406 451 Range: 5 to 311  |  Coverage: 66% Pyr_redox_2 Range: 174 to 252  |  Coverage: 16% Pyr_redox Range: 345 to 455  |  Coverage: 23% Pyr_redox_dim Range: 1 to 458  |  Coverage: 99% 1 Range: 1 to 459  |  Coverage: 99% 1 Range: 345 to 455  |  Coverage: 23% 2 Range: 128 to 269  |  Coverage: 30% 3
Number of amino acids : 459
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
Pyr_redox_2PF079925-311
Pyr_redoxPF00070174-252
Pyr_redox_dimPF02852345-455
Mtb Structural Proteome models
Model Number1
Model nameRv2855
Template2A8X    APDBCREDO
Template coverage1_457
Template Identity(%)31.5
Model coverage(%)99.6
Normalized DOPE score0.08

Structure Models from Chopin
Model Number1
Profilec.3.1.5, d.87.1.1
Click for model details
zscore69.8
Residue begin1
Residue end459
Model Number2
Profile3.30.390.30
Click for model details
zscore12.08
Residue begin345
Residue end455
Model Number3
Profilec.3.1.5
Click for model details
zscore11.46
Residue begin128
Residue end269
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv2855Gene nameConfidence Score
Rv3914trxC0.936
Rv0773cggtA0.929
Rv2394ggtB0.922
Rv2678chemE0.917
Rv1471trxB10.905
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
  View results in TIBLE page
NameAffinityAssay descriptionDOI
CHEMBL105310Not ActiveInhibition of Mycobacterium tuberculosis mycothiol disulfide reductase assessed as NADPH oxidation at 800 uM by Ellmans reagent methodhttp://www.ncbi.nlm.nih.gov/pubmed/20035557
CHEMBL1082538Not ActiveInhibition of Mycobacterium tuberculosis mycothiol disulfide reductase assessed as NADPH oxidation at 800 uM by Ellmans reagent methodhttp://www.ncbi.nlm.nih.gov/pubmed/20035557
CHEMBL1083820Not ActiveInhibition of Mycobacterium tuberculosis mycothiol disulfide reductase assessed as NADPH oxidation at 800 uM by Ellmans reagent methodhttp://www.ncbi.nlm.nih.gov/pubmed/20035557
CHEMBL1083821Not ActiveInhibition of Mycobacterium tuberculosis mycothiol disulfide reductase assessed as NADPH oxidation at 800 uM by Ellmans reagent methodhttp://www.ncbi.nlm.nih.gov/pubmed/20035557
CHEMBL1088983Km = 23 uMActivity at Mycobacterium tuberculosis Mtr by spectrophotometryhttp://www.ncbi.nlm.nih.gov/pubmed/20304659
Off-target activity - ligand based from TIBLE
  View results in TIBLE page
Predicted off-targetMethodSummaryFull results
None Noneno_bindLink
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
reduced glutathionePubChem0.949307.323
NADP(H)PubChem0.947745.421
oxidized glutathionePubChem0.941612.631
NADPPubChem0.941744.413
oxidized-glutathionePubChem0.912612.631
deuteriumPubChem0.92.01588
H(+)PubChem0.92.01588
protiumPubChem0.92.01576
NSC647529PubChem0.9307.323
flavin adenine dinucleotidePubChem0.804785.55