Rv0058

Tuberculist information
Gene namednaB
Protein functionProbable replicative DNA helicase DnaB
Functional category(tuberculist)information pathways
Gene location(kb)60.396
Molecular mass(da)96916.7
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 874
	  		  	1    MAVVDDLAPGMDSSPPSEDYGRQPPQDLAAEQSVLGGMLLSKDAIADVLERLRPGDFYRP   60
			  	61   AHQNVYDAILDLYGRGEPADAVTVAAELDRRGLLRRIGGAPYLHTLISTVPTAANAGYYA  120
			  	121  SIVAEKALLRRLVEAGTRVVQYGYAGAEGADVAEVVDRAQAEIYDVADRRLSEDFVALED  180
			  	181  LLQPTMDEIDAIASSGGLARGVATGFTELDEVTNGLHPGQMVIVAARPGVGKSTLGLDFM  240
			  	241  RSCSIRHRMASVIFSLEMSKSEIVMRLLSAEAKIKLSDMRSGRMSDDDWTRLARRMSEIS  300
			  	301  EAPLFIDDSPNLTMMEIRAKARRLRQKANLKLIVVDYLQLMTSGKKYESRQVEVSEFSRH  360
			  	361  LKLLAKELEVPVVAISQLNRGPEQRTDKKPMLADLRESGCLTASTRILRADTGAEVAFGE  420
			  	421  LMRSGERPMVWSLDERLRMVARPMINVFPSGRKEVFRLRLASGREVEATGSHPFMKFEGW  480
			  	481  TPLAQLKVGDRIAAPRRVPEPIDTQRMPESELISLARMIGDGSCLKNQPIRYEPVDEANL  540
			  	541  AAVTVSAAHSDRAAIRDDYLAARVPSLRPARQRLPRGRCTPIAAWLAGLGLFTKRSHEKC  600
			  	601  VPEAVFRAPNDQVALFLRHLWSAGGSVRWDPTNGQGRVYYGSTSRRLIDDVAQLLLRVGI  660
			  	661  FSWITHAPKLGGHDSWRLHIHGAKDQVRFLRHVGVHGAEAVAAQEMLRQLKGPVRNPNLD  720
			  	721  SAPKKVWAQVRNRLSAKQMMDIQLHEPTMWKHSPSRSRPHRAEARIEDRAIHELARGDAY  780
			  	781  WDTVVEITSIGDQHVFDGTVSGTHNFVANGISLHNSLEQDADVVILLHRPDAFDRDDPRG  840
			  	841  GEADFILAKHRNGPTKTVTVAHQLHLSRFANMAR

Known structures in the PDB
PDB ID2R5U
Total residue count1200
Number of chains6
MethodX-RAY
Resolution1.9
1 88 175 262 349 436 523 610 697 784 871 Range: 23 to 125  |  Coverage: 11% DnaB Range: 201 to 874  |  Coverage: 77% DnaB_C Range: 404 to 814  |  Coverage: 46% Intein_splicing Range: 614 to 694  |  Coverage: 9% LAGLIDADG_3 Range: 24 to 125  |  Coverage: 11% 1 Range: 23 to 166  |  Coverage: 16% 2 Range: 198 to 376  |  Coverage: 20% 3 Range: 185 to 389  |  Coverage: 23% 4 Range: 115 to 381  |  Coverage: 30% 5 Range: 392 to 815  |  Coverage: 48% 6 Range: 23 to 124  |  Coverage: 11% 1
Number of amino acids : 874
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
DnaBPF0077223-125
DnaB_CPF03796201-874
Intein_splicingPF14890404-814
LAGLIDADG_3PF14528614-694
Mtb Structural Proteome models
Model Number1
Model nameRv0058.1
Template1B79    APDBCREDO
Template coverage26_127
Template Identity(%)42.2
Model coverage(%)11.6
Normalized DOPE score-1.795

Model Number2
Model nameRv0058_2r5u_A
Template2R5U    APDBCREDO
Template coverage23_166
Template Identity(%)100.0
Model coverage(%)16.4
Normalized DOPE score-1.647

Model Number3
Model nameRv0058.4
Template1N0W    APDBCREDO
Template coverage98_267
Template Identity(%)20.2
Model coverage(%)20.4
Normalized DOPE score-0.082

Model Number4
Model nameRv0058.3
Template2GDJ    APDBCREDO
Template coverage63_289
Template Identity(%)16.7
Model coverage(%)23.3
Normalized DOPE score0.034

Model Number5
Model nameRv0058.2
Template2BKE    APDBCREDO
Template coverage10_282
Template Identity(%)13.9
Model coverage(%)30.4
Normalized DOPE score0.623

Model Number6
Model nameRv0058
Template1DQ3    APDBCREDO
Template coverage18_454
Template Identity(%)16.5
Model coverage(%)48.4
Normalized DOPE score0.736

Structure Models from Chopin
Model Number1
Profilea.81.1.1 - 1.10.860.10
Click for model details
zscore29.04
Residue begin23
Residue end124
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv0058Gene nameConfidence Score
Rv2343cdnaG0.98
Rv2343cdnaG0.98
Rv2343cdnaG0.98
Rv2343cdnaG0.98
Rv2343cdnaG0.98
Rv0006gyrA0.978
Rv0006gyrA0.978
Rv0056rplI0.977
Rv0001dnaA0.977
Rv0056rplI0.977
Rv0001dnaA0.977
Rv0054ssb0.974
Rv3721cdnaZX0.964
Rv3721cdnaZX0.964
Rv0055rpsR10.942
Rv3585radA0.933
Rv3585radA0.933
Rv1547dnaE10.93
Rv1547dnaE10.93
Rv1547dnaE10.93
Rv1547dnaE10.93
Rv2973crecG0.909
Rv2973crecG0.909
Rv2973crecG0.909
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
CHEMBL1463659AC50 = 0.503 uMPUBCHEM_BIOASSAY: DnaB Intein secondary assay Measured in Biochemical System Using Plate Reader - 2047-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223]DATASET
CHEMBL1501680AC50 = 101.124 uMPUBCHEM_BIOASSAY: DnaB Intein secondary assay Measured in Biochemical System Using Plate Reader - 2047-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223]DATASET
CHEMBL1575531AC50 = 5.698 uMPUBCHEM_BIOASSAY: DnaB Intein secondary assay Measured in Biochemical System Using Plate Reader - 2047-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223]DATASET
CHEMBL1708662AC50 = 1.075 uMPUBCHEM_BIOASSAY: DnaB Intein secondary assay Measured in Biochemical System Using Plate Reader - 2047-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223]DATASET
CHEMBL1727447AC50 = 36.919 uMPUBCHEM_BIOASSAY: DnaB Intein secondary assay Measured in Biochemical System Using Plate Reader - 2047-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223]DATASET
CHEMBL579318AC50 = 1.146 uMPUBCHEM_BIOASSAY: DnaB Intein secondary assay Measured in Biochemical System Using Plate Reader - 2047-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223]DATASET
CHEMBL599924AC50 = 0.184 uMPUBCHEM_BIOASSAY: DnaB Intein secondary assay Measured in Biochemical System Using Plate Reader - 2047-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223]DATASET
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
glycerolPubChem0.90692.0938