SInCRe - Rv2601

Tuberculist information

Gene name	speE
Protein function	Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2928.39
Molecular mass(da)	54683.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 523

	  		  	1    MTSTRQAGEATEASVRWRAVLLAAVAACAACGLVYELALLTLAASLNGGGIVATSLIVAG   60
			  	61   YIAALGAGALLIKPLLAHAAIAFIAVEAVLGIIGGLSAAALYAAFAFLDELDGSTLVLAV  120
			  	121  GTALIGGLVGAEVPLLMTLLQRGRVAGAADAGRTLANLNAADYLGALVGGLAWPFLLLPQ  180
			  	181  LGMIRGAAVTGIVNLAAAGVVSIFLLRHVVSGRQLVTALCALAAALGLIATLLVHSHDIE  240
			  	241  TTGRQQLYADPIIAYRHSAYQEIVVTRRGDDLRLYLDGGLQFCTRDEYRYTESLVYPAVS  300
			  	301  DGARSVLVLGGGDGLAARELLRQPGIEQIVQVELDPAVIELARTTLRDVNAGSLDNPRVH  360
			  	361  VVIDDAMSWLRGAAVPPAGFDAVIVDLRDPDTPVLGRLYSTEFYALAARALAPGGLMVVQ  420
			  	421  AGSPYSTPTAFWRIISTIRSAGYAVTPYHVHVPTFGDWGFALARLTDIAPTPAVPSTAPA  480
			  	481  LRFLDQQVLEAATVFSGDIRPRTLDPSTLDNPHIVEDMRHGWD

Known structures in the PDB

No Known structures

Number of amino acids : 523

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
Spermine_synth	PF01564	203-478

Mtb Structural Proteome models

Model Number	1
Model name	Rv2601
Template	1UIR APDB CREDO
Template coverage	5_304
Template Identity(%)	31.5
Model coverage(%)	54.5
Normalized DOPE score	-0.511

Model Number	2
Model name	Rv2601.1
Template	2GFP APDB CREDO
Template coverage	212_383
Template Identity(%)	17.4
Model coverage(%)	35.0
Normalized DOPE score	2.478

Structure Models from Chopin

Model Number	1
Profile	c.66.1.17 Click for model details
zscore	32.64
Residue begin	212
Residue end	523

Binding pockets

STRING

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

Protein interacting with Rv2601	Gene name	Confidence Score
Rv2600	Rv2600	0.961
Rv2597	Rv2597	0.941
Rv0535	pnp	0.911
Rv0091	mtn	0.906

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2601.1	1	3ret_SAL_A_201 PDB CREDO	0.631	0.144	0.597	0.002
Rv2601.1	1	3hgx_SAL_B_104 PDB CREDO	0.625	0.151	0.592	0.002
Rv2601.1	1	3ret_SAL_B_201 PDB CREDO	0.622	0.154	0.589	0.003
Rv2601.1	1	3hgx_SAL_A_102 PDB CREDO	0.619	0.157	0.586	0.003
Rv2601.1	13	3bbt_FMM_B_91 PDB CREDO	0.608	0.169	0.586	0.003
Rv2601.1	1	3rem_SAL_A_301 PDB CREDO	0.649	0.126	0.585	0.003
Rv2601.1	1	3rem_SAL_B_301 PDB CREDO	0.647	0.127	0.583	0.003
Rv2601.1	13	1jg3_ADN_A_500 PDB CREDO	0.604	0.174	0.582	0.003
Rv2601.1	13	2ito_IRE_A_2020 PDB CREDO	0.599	0.180	0.577	0.003
Rv2601.1	13	3rif_IVM_E_402 PDB CREDO	0.597	0.182	0.575	0.003
Rv2601.1	13	3ri5_IVM_B_349 PDB CREDO	0.597	0.183	0.574	0.003
Rv2601.1	13	3ri5_IVM_D_349 PDB CREDO	0.596	0.184	0.574	0.003
Rv2601.1	13	3ria_IVM_A_348 PDB CREDO	0.596	0.184	0.574	0.003
Rv2601.1	13	1jg2_ADN_A_500 PDB CREDO	0.662	0.113	0.574	0.003
Rv2601.1	13	3rhw_IVM_B_349 PDB CREDO	0.595	0.185	0.573	0.003
Rv2601.1	13	3rhw_IVM_D_348 PDB CREDO	0.594	0.186	0.572	0.003
Rv2601.1	13	3rhw_IVM_D_349 PDB CREDO	0.594	0.186	0.572	0.003
Rv2601.1	13	3ria_IVM_C_350 PDB CREDO	0.594	0.186	0.572	0.003
Rv2601.1	13	3ria_IVM_E_348 PDB CREDO	0.594	0.186	0.572	0.003
Rv2601.1	13	3rhw_IVM_B_348 PDB CREDO	0.593	0.188	0.571	0.004
Rv2601.1	13	3oht_1N1_A_1000 PDB CREDO	0.568	0.219	0.568	0.004
Rv2601.1	13	3bbt_FMM_D_91 PDB CREDO	0.677	0.099	0.566	0.004
Rv2601.1	13	1mx1_THA_C_3 PDB CREDO	0.630	0.145	0.565	0.004
Rv2601.1	13	3ri5_IVM_A_349 PDB CREDO	0.586	0.197	0.564	0.004
Rv2601.1	13	1s9p_DES_A_459 PDB CREDO	0.628	0.147	0.563	0.004
Rv2601.1	13	3rhw_IVM_A_348 PDB CREDO	0.584	0.198	0.563	0.004
Rv2601.1	13	3ri5_IVM_C_350 PDB CREDO	0.604	0.174	0.562	0.004
Rv2601.1	13	1ya3_STR_C_3001 PDB CREDO	0.583	0.200	0.562	0.004
Rv2601.1	13	3rif_IVM_B_403 PDB CREDO	0.604	0.174	0.561	0.004
Rv2601.1	13	3rif_IVM_D_402 PDB CREDO	0.604	0.174	0.561	0.004
Rv2601.1	13	1ya4_CTX_C_3 PDB CREDO	0.629	0.146	0.560	0.004
Rv2601.1	13	3rif_IVM_A_402 PDB CREDO	0.603	0.175	0.560	0.004
Rv2601.1	13	1jg3_ADN_B_550 PDB CREDO	0.604	0.174	0.560	0.004
Rv2601.1	13	3ria_IVM_E_349 PDB CREDO	0.581	0.203	0.559	0.004
Rv2601.1	13	3adx_IMN_B_3 PDB CREDO	0.651	0.123	0.558	0.004
Rv2601.1	13	3ria_IVM_C_349 PDB CREDO	0.600	0.179	0.557	0.004
Rv2601.1	13	1mx1_THA_E_5 PDB CREDO	0.578	0.206	0.557	0.004
Rv2601.1	13	1ya4_CTX_B_2 PDB CREDO	0.624	0.152	0.556	0.005
Rv2601.1	13	3sxr_1N1_A_1 PDB CREDO	0.624	0.152	0.556	0.005
Rv2601.1	13	3k54_1N1_A_1 PDB CREDO	0.574	0.212	0.553	0.005
Rv2601.1	5	3ads_IMN_B_3 PDB CREDO	0.574	0.212	0.550	0.005
Rv2601.1	1	1sn0_T44_B_602 PDB CREDO	0.579	0.205	0.549	0.005
Rv2601.1	13	3rif_IVM_A_403 PDB CREDO	0.590	0.191	0.548	0.005
Rv2601.1	13	3kw2_ADN_B_300 PDB CREDO	0.614	0.162	0.547	0.005
Rv2601.1	13	1mx1_THA_F_6 PDB CREDO	0.613	0.164	0.546	0.005
Rv2601.1	13	3oht_1N1_B_1000 PDB CREDO	0.607	0.170	0.544	0.005
Rv2601.1	1	3ug2_IRE_A_1 PDB CREDO	0.633	0.142	0.543	0.006
Rv2601.1	13	1mx1_THA_D_4 PDB CREDO	0.609	0.169	0.542	0.006
Rv2601.1	1	3rf4_FUN_A_201 PDB CREDO	0.600	0.179	0.541	0.006
Rv2601.1	13	2ity_IRE_A_2020 PDB CREDO	0.606	0.172	0.540	0.006
Rv2601.1	13	3ri5_IVM_E_349 PDB CREDO	0.604	0.174	0.538	0.006
Rv2601.1	13	3h52_486_C_4 PDB CREDO	0.579	0.206	0.538	0.006
Rv2601.1	13	3sxr_1N1_B_2 PDB CREDO	0.628	0.147	0.537	0.006
Rv2601.1	1	3rf4_FUN_B_202 PDB CREDO	0.596	0.184	0.537	0.006
Rv2601.1	13	1ya3_STR_A_1001 PDB CREDO	0.618	0.158	0.535	0.006
Rv2601.1	13	1ya3_STR_B_2001 PDB CREDO	0.618	0.158	0.535	0.006
Rv2601.1	13	1ie4_T44_B_328 PDB CREDO	0.578	0.207	0.535	0.006
Rv2601.1	1	3rf4_FUN_C_203 PDB CREDO	0.592	0.189	0.533	0.007
Rv2601.1	13	3erd_DES_B_800 PDB CREDO	0.574	0.212	0.533	0.007
Rv2601.1	13	3kw2_ADN_A_300 PDB CREDO	0.532	0.269	0.532	0.007
Rv2601.1	5	3r9c_ECL_A_452 PDB CREDO	0.531	0.271	0.531	0.007
Rv2601.1	13	3spk_TPV_A_100 PDB CREDO	0.656	0.118	0.531	0.007
Rv2601.1	13	2w8y_NDR_B_1000 PDB CREDO	0.592	0.188	0.528	0.007
Rv2601.1	13	2itz_IRE_A_2021 PDB CREDO	0.616	0.161	0.527	0.007
Rv2601.1	13	1lhu_EST_A_301 PDB CREDO	0.581	0.202	0.521	0.008
Rv2601.1	5	1sn0_T44_C_601 PDB CREDO	0.594	0.186	0.521	0.008
Rv2601.1	13	3erd_DES_A_600 PDB CREDO	0.560	0.230	0.521	0.008
Rv2601.1	5	1sn5_T3_C_601 PDB CREDO	0.520	0.287	0.520	0.008
Rv2601.1	13	2fum_MIX_A_539 PDB CREDO	0.560	0.231	0.520	0.008
Rv2601.1	13	3ads_IMN_B_3 PDB CREDO	0.687	0.091	0.519	0.008
Rv2601.1	1	3r9c_ECL_A_451 PDB CREDO	0.546	0.249	0.518	0.008
Rv2601.1	13	1m17_AQ4_A_999 PDB CREDO	0.630	0.145	0.518	0.008
Rv2601.1	13	1sqn_NDR_B_2001 PDB CREDO	0.577	0.207	0.518	0.008
Rv2601.1	13	1sqn_NDR_A_1001 PDB CREDO	0.577	0.208	0.517	0.008
Rv2601.1	5	1ie4_T44_A_128 PDB CREDO	0.538	0.261	0.516	0.009
Rv2601.1	13	1s9p_DES_D_600 PDB CREDO	0.574	0.211	0.515	0.009
Rv2601.1	13	2xkw_P1B_B_1475 PDB CREDO	0.554	0.238	0.515	0.009
Rv2601.1	13	3oct_1N1_A_663 PDB CREDO	0.594	0.186	0.514	0.009
Rv2601.1	1	1sn0_T44_C_601 PDB CREDO	0.724	0.064	0.514	0.009
Rv2601.1	13	3g5d_1N1_A_1 PDB CREDO	0.554	0.239	0.513	0.009
Rv2601.1	5	3lfa_1N1_A_361 PDB CREDO	0.512	0.300	0.512	0.009
Rv2601.1	13	2yja_EST_B_1550 PDB CREDO	0.597	0.183	0.511	0.009
Rv2601.1	13	3qlg_1N1_A_601 PDB CREDO	0.551	0.243	0.510	0.009
Rv2601.1	13	3uud_EST_B_600 PDB CREDO	0.596	0.184	0.510	0.009
Rv2601.1	13	2q1v_PDN_A_248 PDB CREDO	0.589	0.192	0.510	0.009
Rv2601.1	13	1s9p_DES_C_500 PDB CREDO	0.572	0.214	0.509	0.009
Rv2601.1	13	3ols_EST_A_600 PDB CREDO	0.595	0.185	0.509	0.009
Rv2601.1	13	3uud_EST_A_600 PDB CREDO	0.595	0.185	0.509	0.009
Rv2601.1	13	1a28_STR_A_1 PDB CREDO	0.567	0.220	0.509	0.010
Rv2601.1	13	3ols_EST_B_600 PDB CREDO	0.594	0.186	0.509	0.010
Rv2601.1	1	2w03_ADN_A_1588 PDB CREDO	0.508	0.306	0.508	0.010
Rv2601.1	13	3h0a_9RA_A_500 PDB CREDO	0.606	0.172	0.507	0.010
Rv2601.1	13	1s9p_DES_B_459 PDB CREDO	0.569	0.219	0.507	0.010
Rv2601.1	13	3g5d_1N1_B_1 PDB CREDO	0.547	0.249	0.507	0.010
Rv2601.1	13	2h42_VIA_C_903 PDB CREDO	0.545	0.251	0.506	0.010
Rv2601.1	13	1ict_T44_C_128 PDB CREDO	0.616	0.161	0.506	0.010
Rv2601.1	5	1ya4_CTX_C_3 PDB CREDO	0.572	0.214	0.506	0.010
Rv2601.1	13	3jwq_VIA_B_901 PDB CREDO	0.544	0.253	0.505	0.010
Rv2601.1	13	1nhz_486_A_800 PDB CREDO	0.623	0.152	0.504	0.010
Rv2601.1	13	1g50_EST_A_600 PDB CREDO	0.589	0.193	0.504	0.010
Rv2601.1	13	3qlg_1N1_B_601 PDB CREDO	0.544	0.253	0.504	0.010
Rv2601.1	5	3adx_IMN_B_3 PDB CREDO	0.547	0.248	0.504	0.010
Rv2601.1	5	1ya4_CTX_B_2 PDB CREDO	0.568	0.219	0.503	0.010
Rv2601.1	13	2fum_MIX_D_3539 PDB CREDO	0.601	0.178	0.503	0.010
Rv2601.1	13	2gqg_1N1_A_501 PDB CREDO	0.540	0.258	0.502	0.011
Rv2601.1	13	2cbr_A80_A_201 PDB CREDO	0.501	0.317	0.501	0.011
Rv2601.1	13	1sa1_POD_D_701 PDB CREDO	0.773	0.036	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
spermidinePubChem	0.948	145.246
putrescinePubChem	0.939	88.1515
5'-deoxy-5'-methylthioadenosinePubChem	0.931	297.333
methylthioadenosinePubChem	0.931	297.333
agmatinePubChem	0.93	130.191
sperminePubChem	0.928	202.34
decarboxylated S-adenosylmethioninePubChem	0.923	355.436
ornithinePubChem	0.906	132.161
deuteriumPubChem	0.904	2.01588
H(+)PubChem	0.903	2.01588
S-adenosyl-methioninePubChem	0.901	398.437
N-carbamoylputrescinePubChem	0.9	131.176
protiumPubChem	0.9	2.01576
hydroxyl radicalsPubChem	0.9	17.0073
ammoniaPubChem	0.9	17.0305
urea solutionPubChem	0.9	60.0553
S-adenosyl-L-methioninePubChem	0.9	399.445
carbon dioxidePubChem	0.9	44.0095