SInCRe - Rv2217

Tuberculist information

Gene name	lipB
Protein function	Probable lipoate biosynthesis protein B LipB
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2484.58
Molecular mass(da)	24178.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 230

	  		  	1    VTGSIRSKLSAIDVRQLGTVDYRTAWQLQRELADARVAGGADTLLLLEHPAVYTAGRRTE   60
			  	61   THERPIDGTPVVDTDRGGKITWHGPGQLVGYPIIGLAEPLDVVNYVRRLEESLIQVCADL  120
			  	121  GLHAGRVDGRSGVWLPGRPARKVAAIGVRVSRATTLHGFALNCDCDLAAFTAIVPCGISD  180
			  	181  AAVTSLSAELGRTVTVDEVRATVAAAVCAALDGVLPVGDRVPSHAVPSPL

Known structures in the PDB

	PDB ID	1W66
	Total residue count	232
	Number of chains	1
	Method	X-RAY
	Resolution	1.08

Number of amino acids : 230

Domains assigned based on sequence.

Mtb Structural proteome models

CHOPIN models

Profile-based domain assignment

Structural/Functional domain family	Pfam acc.no./SCOP ID	Domain Region
BPL_LplA_LipB	PF03099	56-166

Mtb Structural Proteome models

Model Number	1
Model name	Rv2217_1w66_A
Template	1W66 APDB CREDO
Template coverage	0_216
Template Identity(%)	100.0
Model coverage(%)	93.9
Normalized DOPE score	-1.711

Model Number	2
Model name	Rv2217
Template	1W66 APDB CREDO
Template coverage	1_216
Template Identity(%)	99.5
Model coverage(%)	93.5
Normalized DOPE score	-1.476

Structure Models from Chopin

Model Number	1
Profile	d.104.1.3 - 3.90.1550.10 Click for model details
zscore	26.16
Residue begin	1
Residue end	230

Binding pockets

STRING

Cytoscape Web will replace the contents of this div with protein-protein interaction network.

Protein interacting with Rv2217	Gene name	Confidence Score
Rv2218	lipA	0.999
Rv1826	gcvH	0.97
Rv2215	dlaT	0.964
Rv2215	dlaT	0.964
Rv2215	dlaT	0.964
Rv2727c	miaA	0.956
Rv0462	lpdC	0.954
Rv0462	lpdC	0.954
Rv0462	lpdC	0.954

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2217_1w66_A	3	3bbt_FMM_D_91 PDB CREDO	0.655	0.120	0.612	0.002
Rv2217_1w66_A	3	2y6o_1N1_A_1892 PDB CREDO	0.651	0.124	0.610	0.002
Rv2217_1w66_A	3	3spk_TPV_A_100 PDB CREDO	0.620	0.156	0.599	0.002
Rv2217_1w66_A	3	2fum_MIX_D_3539 PDB CREDO	0.631	0.144	0.590	0.003
Rv2217_1w66_A	3	1s9p_DES_A_459 PDB CREDO	0.672	0.104	0.586	0.003
Rv2217_1w66_A	3	1qkn_RAL_A_600 PDB CREDO	0.598	0.181	0.579	0.003
Rv2217_1w66_A	3	1bsx_T3_A_1 PDB CREDO	0.598	0.182	0.579	0.003
Rv2217_1w66_A	3	1bsx_T3_B_2 PDB CREDO	0.598	0.182	0.579	0.003
Rv2217_1w66_A	3	1jg2_ADN_A_500 PDB CREDO	0.637	0.138	0.575	0.003
Rv2217_1w66_A	3	3oez_STI_B_601 PDB CREDO	0.631	0.144	0.572	0.003
Rv2217_1w66_A	3	3hec_STI_A_1 PDB CREDO	0.630	0.145	0.571	0.004
Rv2217_1w66_A	3	3gws_T3_X_500 PDB CREDO	0.590	0.192	0.571	0.004
Rv2217_1w66_A	3	2jfa_RAL_A_600 PDB CREDO	0.627	0.148	0.569	0.004
Rv2217_1w66_A	3	1xzx_T3_X_500 PDB CREDO	0.607	0.171	0.569	0.004
Rv2217_1w66_A	3	2h79_T3_A_1 PDB CREDO	0.568	0.220	0.568	0.004
Rv2217_1w66_A	3	3uvv_T3_A_501 PDB CREDO	0.605	0.172	0.567	0.004
Rv2217_1w66_A	3	3v5w_8PR_A_701 PDB CREDO	0.583	0.200	0.564	0.004
Rv2217_1w66_A	3	3oht_1N1_B_1000 PDB CREDO	0.647	0.128	0.564	0.004
Rv2217_1w66_A	3	1err_RAL_A_600 PDB CREDO	0.637	0.137	0.561	0.004
Rv2217_1w66_A	3	1err_RAL_B_600 PDB CREDO	0.637	0.138	0.560	0.004
Rv2217_1w66_A	3	2jfa_RAL_B_600 PDB CREDO	0.637	0.138	0.560	0.004
Rv2217_1w66_A	3	2h77_T3_A_1 PDB CREDO	0.576	0.209	0.557	0.004
Rv2217_1w66_A	3	3bbt_FMM_B_91 PDB CREDO	0.738	0.055	0.556	0.005
Rv2217_1w66_A	3	3erd_DES_B_800 PDB CREDO	0.660	0.115	0.555	0.005
Rv2217_1w66_A	3	1zgy_BRL_A_503 PDB CREDO	0.573	0.212	0.555	0.005
Rv2217_1w66_A	3	3oct_1N1_A_663 PDB CREDO	0.614	0.163	0.555	0.005
Rv2217_1w66_A	2	2w03_ADN_A_1588 PDB CREDO	0.552	0.241	0.552	0.005
Rv2217_1w66_A	3	1s9p_DES_D_600 PDB CREDO	0.632	0.143	0.551	0.005
Rv2217_1w66_A	3	4asd_BAX_A_1500 PDB CREDO	0.686	0.092	0.551	0.005
Rv2217_1w66_A	3	2xkw_P1B_B_1475 PDB CREDO	0.654	0.121	0.550	0.005
Rv2217_1w66_A	3	3h0a_9RA_A_500 PDB CREDO	0.587	0.195	0.549	0.005
Rv2217_1w66_A	3	1uwh_BAX_B_1723 PDB CREDO	0.642	0.132	0.548	0.005
Rv2217_1w66_A	3	1uwh_BAX_A_1723 PDB CREDO	0.641	0.133	0.547	0.005
Rv2217_1w66_A	3	3erd_DES_A_600 PDB CREDO	0.648	0.126	0.545	0.005
Rv2217_1w66_A	3	2hyy_STI_B_600 PDB CREDO	0.658	0.117	0.545	0.005
Rv2217_1w66_A	3	3heg_BAX_A_1 PDB CREDO	0.657	0.118	0.544	0.006
Rv2217_1w66_A	3	3jwq_VIA_D_901 PDB CREDO	0.580	0.204	0.542	0.006
Rv2217_1w66_A	3	3gcs_BAX_A_401 PDB CREDO	0.674	0.102	0.541	0.006
Rv2217_1w66_A	3	1jg3_ADN_A_500 PDB CREDO	0.664	0.111	0.539	0.006
Rv2217_1w66_A	3	2fum_MIX_A_539 PDB CREDO	0.638	0.136	0.537	0.006
Rv2217_1w66_A	2	2xn3_ID8_A_1356 PDB CREDO	0.598	0.181	0.536	0.006
Rv2217_1w66_A	3	1nhz_486_A_800 PDB CREDO	0.550	0.244	0.532	0.007
Rv2217_1w66_A	3	1fm6_BRL_X_504 PDB CREDO	0.564	0.224	0.529	0.007
Rv2217_1w66_A	3	2oiq_STI_A_1001 PDB CREDO	0.638	0.137	0.528	0.007
Rv2217_1w66_A	3	3k54_1N1_A_1 PDB CREDO	0.650	0.125	0.527	0.007
Rv2217_1w66_A	3	3oht_1N1_A_1000 PDB CREDO	0.674	0.102	0.527	0.007
Rv2217_1w66_A	3	1mx1_THA_C_3 PDB CREDO	0.603	0.176	0.526	0.007
Rv2217_1w66_A	3	1sa1_POD_D_701 PDB CREDO	0.634	0.140	0.525	0.007
Rv2217_1w66_A	3	1uwj_BAX_B_1723 PDB CREDO	0.654	0.121	0.525	0.007
Rv2217_1w66_A	3	3e22_LOC_D_700 PDB CREDO	0.578	0.206	0.525	0.007
Rv2217_1w66_A	3	3ut5_LOC_D_502 PDB CREDO	0.578	0.206	0.525	0.007
Rv2217_1w66_A	3	1sa1_POD_B_700 PDB CREDO	0.652	0.122	0.524	0.008
Rv2217_1w66_A	3	2hw2_RFP_A_1200 PDB CREDO	0.577	0.208	0.523	0.008
Rv2217_1w66_A	3	2h42_VIA_A_901 PDB CREDO	0.559	0.231	0.523	0.008
Rv2217_1w66_A	3	1y0x_T44_X_500 PDB CREDO	0.612	0.165	0.522	0.008
Rv2217_1w66_A	3	3ln1_CEL_D_682 PDB CREDO	0.558	0.233	0.522	0.008
Rv2217_1w66_A	3	3e22_LOC_B_700 PDB CREDO	0.574	0.212	0.521	0.008
Rv2217_1w66_A	3	2pl0_STI_A_200 PDB CREDO	0.628	0.147	0.520	0.008
Rv2217_1w66_A	3	1fm6_BRL_D_503 PDB CREDO	0.595	0.185	0.519	0.008
Rv2217_1w66_A	3	3qlg_1N1_B_601 PDB CREDO	0.716	0.069	0.519	0.008
Rv2217_1w66_A	2	1m2w_MTL_A_5600 PDB CREDO	0.518	0.291	0.518	0.008
Rv2217_1w66_A	3	3tne_RIT_A_401 PDB CREDO	0.569	0.218	0.517	0.008
Rv2217_1w66_A	3	3g5d_1N1_B_1 PDB CREDO	0.712	0.072	0.516	0.009
Rv2217_1w66_A	3	2gqg_1N1_A_501 PDB CREDO	0.612	0.165	0.515	0.009
Rv2217_1w66_A	3	2ito_IRE_A_2020 PDB CREDO	0.684	0.093	0.515	0.009
Rv2217_1w66_A	3	3qt0_486_A_4 PDB CREDO	0.551	0.242	0.515	0.009
Rv2217_1w66_A	3	3spk_TPV_B_100 PDB CREDO	0.660	0.115	0.514	0.009
Rv2217_1w66_A	3	2zva_1N1_A_513 PDB CREDO	0.738	0.055	0.514	0.009
Rv2217_1w66_A	3	3g5d_1N1_A_1 PDB CREDO	0.709	0.074	0.514	0.009
Rv2217_1w66_A	3	3mne_DEX_A_784 PDB CREDO	0.531	0.272	0.513	0.009
Rv2217_1w66_A	3	3ln1_CEL_A_682 PDB CREDO	0.530	0.273	0.512	0.009
Rv2217_1w66_A	3	3ln1_CEL_C_682 PDB CREDO	0.530	0.273	0.512	0.009
Rv2217_1w66_A	3	1d4s_TPV_A_201 PDB CREDO	0.529	0.274	0.512	0.009
Rv2217_1w66_A	3	2aa6_STR_B_402 PDB CREDO	0.511	0.301	0.511	0.009
Rv2217_1w66_A	3	1a28_STR_B_2 PDB CREDO	0.545	0.251	0.511	0.009
Rv2217_1w66_A	3	2prg_BRL_A_1 PDB CREDO	0.586	0.196	0.511	0.009
Rv2217_1w66_A	3	3frq_ERY_B_195 PDB CREDO	0.563	0.226	0.511	0.009
Rv2217_1w66_A	3	1m2z_DEX_A_301 PDB CREDO	0.528	0.276	0.511	0.009
Rv2217_1w66_A	3	3ln1_CEL_B_682 PDB CREDO	0.528	0.276	0.511	0.009
Rv2217_1w66_A	3	2aax_PDN_B_503 PDB CREDO	0.510	0.302	0.510	0.009
Rv2217_1w66_A	3	1lhv_NOG_A_301 PDB CREDO	0.544	0.252	0.510	0.009
Rv2217_1w66_A	3	2aax_PDN_A_502 PDB CREDO	0.510	0.303	0.510	0.009
Rv2217_1w66_A	3	3qlg_1N1_A_601 PDB CREDO	0.704	0.078	0.510	0.009
Rv2217_1w66_A	3	1m2z_DEX_D_401 PDB CREDO	0.526	0.278	0.509	0.009
Rv2217_1w66_A	3	3gn8_DEX_B_247 PDB CREDO	0.526	0.278	0.509	0.009
Rv2217_1w66_A	3	1p93_DEX_C_3999 PDB CREDO	0.525	0.280	0.508	0.010
Rv2217_1w66_A	3	3tkd_CYZ_A_266 PDB CREDO	0.560	0.231	0.508	0.010
Rv2217_1w66_A	3	1ya3_STR_A_1001 PDB CREDO	0.561	0.228	0.507	0.010
Rv2217_1w66_A	3	2aa6_STR_A_401 PDB CREDO	0.507	0.307	0.507	0.010
Rv2217_1w66_A	3	3adx_IMN_B_3 PDB CREDO	0.758	0.044	0.507	0.010
Rv2217_1w66_A	3	3gn8_DEX_A_247 PDB CREDO	0.523	0.282	0.507	0.010
Rv2217_1w66_A	3	1mx1_THA_E_5 PDB CREDO	0.624	0.151	0.507	0.010
Rv2217_1w66_A	2	2bxg_IBP_A_2001 PDB CREDO	0.506	0.308	0.506	0.010
Rv2217_1w66_A	3	3rif_IVM_A_403 PDB CREDO	0.601	0.177	0.506	0.010
Rv2217_1w66_A	3	3tkd_CYZ_B_267 PDB CREDO	0.592	0.189	0.505	0.010
Rv2217_1w66_A	3	1uwj_BAX_A_1723 PDB CREDO	0.685	0.092	0.505	0.010
Rv2217_1w66_A	2	1r55_097_A_518 PDB CREDO	0.562	0.228	0.504	0.010
Rv2217_1w66_A	3	1p93_DEX_D_4999 PDB CREDO	0.520	0.288	0.503	0.010
Rv2217_1w66_A	3	3rif_IVM_A_402 PDB CREDO	0.597	0.182	0.503	0.010
Rv2217_1w66_A	3	1kij_NOV_A_400 PDB CREDO	0.537	0.263	0.502	0.011
Rv2217_1w66_A	3	3rif_IVM_D_402 PDB CREDO	0.596	0.184	0.502	0.011
Rv2217_1w66_A	3	3ri5_IVM_C_350 PDB CREDO	0.595	0.184	0.501	0.011
Rv2217_1w66_A	3	3rif_IVM_B_403 PDB CREDO	0.595	0.184	0.501	0.011
Rv2217_1w66_A	3	3k5v_STI_B_2 PDB CREDO	0.661	0.114	0.501	0.011
Rv2217_1w66_A	3	2hyy_STI_D_600 PDB CREDO	0.661	0.114	0.501	0.011
Rv2217_1w66_A	3	3mss_STI_C_1 PDB CREDO	0.661	0.114	0.501	0.011
Rv2217_1w66_A	3	3oez_STI_A_601 PDB CREDO	0.661	0.114	0.501	0.011
Rv2217_1w66_A	3	2gqg_1N1_B_502 PDB CREDO	0.501	0.318	0.501	0.011
Rv2217_1w66_A	3	3ut5_LOC_B_502 PDB CREDO	0.586	0.196	0.500	0.011
Rv2217_1w66_A	3	3mss_STI_B_1 PDB CREDO	0.660	0.115	0.500	0.011

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 Name	Confidence score	Molecular Weight
decanoatePubChem	0.984	172.265
octanoatePubChem	0.774	144.211