Rv2246

Tuberculist information
Gene namekasB
Protein function3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I)
Functional category(tuberculist)lipid metabolism
Gene location(kb)2519.4
Molecular mass(da)46388.7
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 438
	  		  	1    VGVPPLAGASRTDMEGTFARPMTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQ   60
			  	61   SGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGS  120
			  	121  PEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHA  180
			  	181  KAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTN  240
			  	241  NDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVA  300
			  	301  PDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYA  360
			  	361  PKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAI  420
			  	421  NNSFGFGGHNVAIAFGRY

Known structures in the PDB
No Known structures
1 44 87 130 173 216 259 302 345 388 431 Range: 11 to 254  |  Coverage: 55% ketoacyl-synt Range: 262 to 375  |  Coverage: 25% Ketoacyl-synt_C Range: 26 to 438  |  Coverage: 94% 1 Range: 3 to 417  |  Coverage: 94% 2
Number of amino acids : 438
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
ketoacyl-syntPF0010911-254
Ketoacyl-synt_CPF02801262-375
Mtb Structural Proteome models
Model Number1
Model nameRv2246
Template2GP6    APDBCREDO
Template coverage5_417
Template Identity(%)100.0
Model coverage(%)94.1
Normalized DOPE score-0.822

Model Number2
Model nameRv2246_2gp6_A
Template2GP6    APDBCREDO
Template coverage3_417
Template Identity(%)100.0
Model coverage(%)94.5
Normalized DOPE score-0.816

Structure Models from Chopin
CHOPIN models not available for this query
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv2246Gene nameConfidence Score
Rv2243fabD0.999
Rv2244acpM0.999
Rv0533cfabH0.997
Rv0533cfabH0.997
Rv0533cfabH0.997
Rv1483fabG10.994
Rv1484inhA0.992
Rv2247accD60.957
Rv0242cfabG40.924
Potential ligand/drug binding sites
Protein ModelPocket NumberDrug Binding Site PMIN ScorePvalue PMINPMAX ScorePvalue PMAX
Rv2246_2gp6_A203kw2_ADN_A_300PDBCREDO0.5780.2060.5570.004
Rv2246_2gp6_A201z9y_FUN_A_500PDBCREDO0.5890.1930.5460.005
Rv2246_2gp6_A203k2h_LYA_B_514PDBCREDO0.5790.2050.5390.006
Rv2246_2gp6_A204eyb_0WO_B_301PDBCREDO0.5380.2610.5380.006
Rv2246_2gp6_A201lhu_EST_A_301PDBCREDO0.5740.2110.5340.006
Rv2246_2gp6_A72x1l_ADN_B_601PDBCREDO0.5330.2680.5330.007
Rv2246_2gp6_A203k54_1N1_A_1PDBCREDO0.5290.2750.5290.007
Rv2246_2gp6_A204eyb_0WO_A_303PDBCREDO0.5680.2200.5280.007
Rv2246_2gp6_A203oct_1N1_A_663PDBCREDO0.5870.1950.5270.007
Rv2246_2gp6_A202gqg_1N1_A_501PDBCREDO0.5430.2540.5230.008
Rv2246_2gp6_A203jwq_VIA_B_901PDBCREDO0.5410.2560.5220.008
Rv2246_2gp6_A203g0e_B49_A_9000PDBCREDO0.6290.1460.5190.008
Rv2246_2gp6_A202cbr_A80_A_201PDBCREDO0.5370.2620.5180.008
Rv2246_2gp6_A203k2h_LYA_A_514PDBCREDO0.5800.2040.5180.008
Rv2246_2gp6_A203nrr_D16_B_520PDBCREDO0.5740.2110.5160.009
Rv2246_2gp6_A203ti1_B49_A_299PDBCREDO0.5780.2070.5160.009
Rv2246_2gp6_A201fm6_BRL_D_503PDBCREDO0.5540.2390.5150.009
Rv2246_2gp6_A203o1c_ADN_A_127PDBCREDO0.5130.2980.5130.009
Rv2246_2gp6_A203fuu_ADN_A_0PDBCREDO0.5720.2140.5110.009
Rv2246_2gp6_A203qgz_ADN_A_127PDBCREDO0.5110.3010.5110.009
Rv2246_2gp6_A201cil_ETS_A_263PDBCREDO0.5890.1930.5110.009
Rv2246_2gp6_A201a4l_DCF_A_353PDBCREDO0.5290.2740.5100.009
Rv2246_2gp6_A201fj8_CER_A_500PDBCREDO0.6690.1060.5080.010
Rv2246_2gp6_A201fj8_CER_C_500PDBCREDO0.6680.1070.5080.010
Rv2246_2gp6_A201a4l_DCF_C_1353PDBCREDO0.5230.2830.5050.010
Rv2246_2gp6_A201a4l_DCF_D_1853PDBCREDO0.5230.2830.5050.010
Rv2246_2gp6_A204eb6_VLB_C_503PDBCREDO0.5230.2840.5040.010
Rv2246_2gp6_A201a4l_DCF_B_853PDBCREDO0.5220.2850.5030.010
Rv2246_2gp6_A203kw2_ADN_B_300PDBCREDO0.5860.1960.5030.010
Rv2246_2gp6_A202prg_BRL_A_1PDBCREDO0.5390.2590.5020.011
Rv2246_2gp6_A203sxr_1N1_A_1PDBCREDO0.5840.1980.5020.011
Rv2246_2gp6_A202zbv_ADN_A_501PDBCREDO0.5010.3170.5010.011
Rv2246_2gp6_A201oq5_CEL_A_701PDBCREDO0.5190.2890.5010.011
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
CHEMBL123184IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL123876Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL193803Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL196358Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL196418Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL196776Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL197346Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL198344IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199428IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199436Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199463IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199516IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199542Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199771Inhibition < 30 %Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199771IC50 > 100 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199776Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199810IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199900IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199963Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199976IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL199977IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200101Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200240IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200281Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200363IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200397Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200463Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200655Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200751Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200803Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200852Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL200932Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL201017Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL201227IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL201261IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL201423IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL201541IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL201711IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL201752IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL202817IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL202928IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL203154IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL203309IC50 = 400 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL333467IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL333571IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL370354Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL370787Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL371460Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL371660IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL372341IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL372603Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL372760Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL373005IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL379235IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL380904IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL381239Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL381463Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL381559IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL381684IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL381712IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL382200IC50 = 400 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL382425Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL382958IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL383364Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL383493Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL383537IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL383600Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL383601Not ActiveInhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL399043IC50 = 6 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL432983IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
CHEMBL436318IC50 > 1000 uMInhibitory activity against KasB from Mycobacterium tuberculosis H37Rvhttp://www.ncbi.nlm.nih.gov/pubmed/16392800
Off-target activity - ligand based from TIBLE
  View results in TIBLE page
Predicted off-targetMethodSummaryFull results
Retinoic acid receptor beta 1XAPPharmMapper7 hydroph + 1 HB + 1 pos/neg + 0 aromLink
Retinoic acid receptor gamma 1FCXPharmMapper6 hydroph + 2 HB + 1 pos/neg + 0 aromLink
Retinoic acid receptor RXR-beta 1H9UPharmMapper8 hydroph + 1 HB + 1 pos/neg + 0 aromLink
Dipeptidyl peptidase 4 2OQVPharmMapper5 hydroph + 0 HB + 1 pos/neg + 1 aromLink
Retinoic acid receptor gamma 1FD0PharmMapper6 hydroph + 1 HB + 1 pos/neg + 0 aromLink
Fatty acid synthase  PASSPa = 0.89 & SM = CHEMBL399043Link
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
malonyl-CoAPubChem0.949853.58
acetyl-CoAPubChem0.923809.571
deuteriumPubChem0.9132.01588
coenzyme APubChem0.907767.534
H(+)PubChem0.9012.01588
acetyl coenzyme-APubChem0.9809.571
malonylcoenzyme APubChem0.9853.58
Co-APubChem0.9767.534
reduced nicotinamide adenine dinucleotidePubChem0.9665.441
NADP(H)PubChem0.9745.421
dihydronicotinamide formycin dinucleotidePubChem0.9665.441
NAD+PubChem0.9663.425
protiumPubChem0.92.01576
NADPPubChem0.9744.413
carbon dioxidePubChem0.944.0095
thiolactomycinPubChem0.849210.293
ceruleninPubChem0.812223.268
malonatePubChem0.767104.061