Tuberculist information
Gene nameacpS
Protein functionholo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrier protein]pantetheinephosphotransferase)
Functional category(tuberculist)lipid metabolism
Gene location(kb)2839.54
Molecular mass(da)14002.8
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 130
	  		  	1    MGIVGVGIDLVSIPDFAEQVDQPGTVFAETFTPGERRDASDKSSSAARHLAARWAAKEAV   60
			  	61   IKAWSGSRFAQRPVLPEDIHRDIEVVTDMWGRPRVRLTGAIAEYLADVTIHVSLTHEGDT  120
			  	121  AAAVAILEAP
			  			

Known structures in the PDB
PDB ID3H7Q
Total residue count132
Number of chains1
MethodX-RAY
Resolution2.25
PDB ID3HQJ
Total residue count130
Number of chains1
MethodX-RAY
Resolution1.95
PDB ID3NE1
Total residue count390
Number of chains3
MethodX-RAY
Resolution2.51
PDB ID3NE3
Total residue count130
Number of chains1
MethodX-RAY
Resolution1.9
PDB ID4HC6
Total residue count129
Number of chains1
MethodX-RAY
Resolution1.8
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
ACPSPF016485-125
Mtb Structural Proteome models
Model Number1
Model nameRv2523c_3hqj_A
Template3HQJ    APDBCREDO
Template coverage2_130
Template Identity(%)100.0
Model coverage(%)98.5
Normalized DOPE score-1.34

Model Number2
Model nameRv2523c
Template1F7L    APDBCREDO
Template coverage1_117
Template Identity(%)30.8
Model coverage(%)96.9
Normalized DOPE score-0.312

Structure Models from Chopin
Model Number1
Profiled.150.1.2 - 3.90.470.20
Click for model details
zscore20.5
Residue begin1
Residue end130
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv2523cGene nameConfidence Score
Rv0533cfabH0.948
Rv0533cfabH0.948
Rv0533cfabH0.948
Rv2965ckdtB0.938
Rv1631coaE0.926
Rv1631coaE0.926
Rv1092ccoaA0.913
Potential ligand/drug binding sites
Protein ModelPocket NumberDrug Binding Site PMIN ScorePvalue PMINPMAX ScorePvalue PMAX
Rv2523c_3hqj_A61hwi_115_D_3PDBCREDO0.5780.2060.5780.003
Rv2523c_3hqj_A61hwi_115_B_1PDBCREDO0.5770.2080.5770.003
Rv2523c_3hqj_A61uob_PNN_A_1311PDBCREDO0.6170.1590.5630.004
Rv2523c_3hqj_A63uvv_T3_A_501PDBCREDO0.5710.2150.5540.005
Rv2523c_3hqj_A61xzx_T3_X_500PDBCREDO0.5710.2160.5530.005
Rv2523c_3hqj_A61bsx_T3_A_1PDBCREDO0.5860.1960.5500.005
Rv2523c_3hqj_A61bsx_T3_B_2PDBCREDO0.5860.1960.5500.005
Rv2523c_3hqj_A63tkd_CYZ_A_266PDBCREDO0.5450.2520.5450.005
Rv2523c_3hqj_A63gws_T3_X_500PDBCREDO0.5800.2040.5440.006
Rv2523c_3hqj_A62h79_T3_A_1PDBCREDO0.5960.1840.5410.006
Rv2523c_3hqj_A62h77_T3_A_1PDBCREDO0.6070.1700.5330.007
Rv2523c_3hqj_A63hec_STI_A_1PDBCREDO0.5320.2690.5320.007
Rv2523c_3hqj_A61hwk_117_D_3PDBCREDO0.5660.2220.5320.007
Rv2523c_3hqj_A61hwl_FBI_B_1PDBCREDO0.5760.2090.5250.007
Rv2523c_3hqj_A61hwl_FBI_D_3PDBCREDO0.5750.2100.5250.007
Rv2523c_3hqj_A63qt0_486_A_4PDBCREDO0.6180.1580.5240.008
Rv2523c_3hqj_A61y0x_T44_X_500PDBCREDO0.5570.2340.5240.008
Rv2523c_3hqj_A61hwl_FBI_A_2PDBCREDO0.5740.2120.5230.008
Rv2523c_3hqj_A61hwl_FBI_C_4PDBCREDO0.5730.2120.5230.008
Rv2523c_3hqj_A63tkd_CYZ_B_267PDBCREDO0.5560.2360.5220.008
Rv2523c_3hqj_A61hwk_117_C_4PDBCREDO0.5900.1910.5220.008
Rv2523c_3hqj_A61hwk_117_A_2PDBCREDO0.5890.1930.5210.008
Rv2523c_3hqj_A61hwi_115_A_2PDBCREDO0.5720.2140.5190.008
Rv2523c_3hqj_A61hwk_117_B_1PDBCREDO0.6150.1610.5130.009
Rv2523c_3hqj_A63gcs_BAX_A_401PDBCREDO0.5760.2090.5100.009
Rv2523c_3hqj_A64asd_BAX_A_1500PDBCREDO0.5750.2100.5090.009
Rv2523c_3hqj_A62y6o_1N1_A_1892PDBCREDO0.5230.2830.5070.010
Rv2523c_3hqj_A63oez_STI_B_601PDBCREDO0.5010.3170.5010.011
Rv2523c_3hqj_A63heg_BAX_A_1PDBCREDO0.5490.2460.5000.011
Similarity to known drug target from sensitive sequence analysis
No drug targets
List of small molecules tested from TIBLE
Data not available
Off-target activity - ligand based from TIBLE
Data not available
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
coenzyme APubChem0.998767.534
hydron sulfatePubChem0.976196.157
sulfatePubChem0.97696.0626
Co-APubChem0.974767.534
magnesiumPubChem0.96324.305
bicinePubChem0.9163.172
4'-phosphopantetheinePubChem0.829358.348
glycerolPubChem0.7892.0938
selenomethioninePubChem0.736196.106
nonribosomal peptidePubChem0.712972.2