SInCRe - Rv0126

Tuberculist information

Gene name	treS
Protein function	Trehalose synthase TreS
Functional category(tuberculist)	virulence,detoxification and adaptaion
Gene location(kb)	152.324
Molecular mass(da)	68593
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 601

	  		  	1    MNEAEHSVEHPPVQGSHVEGGVVEHPDAKDFGSAAALPADPTWFKHAVFYEVLVRAFFDA   60
			  	61   SADGSGDLRGLIDRLDYLQWLGIDCIWLPPFYDSPLRDGGYDIRDFYKVLPEFGTVDDFV  120
			  	121  ALVDAAHRRGIRIITDLVMNHTSESHPWFQESRRDPDGPYGDYYVWSDTSERYTDARIIF  180
			  	181  VDTEESNWSFDPVRRQFYWHRFFSHQPDLNYDNPAVQEAMIDVIRFWLGLGIDGFRLDAV  240
			  	241  PYLFEREGTNCENLPETHAFLKRVRKVVDDEFPGRVLLAEANQWPGDVVEYFGDPNTGGD  300
			  	301  ECHMAFHFPLMPRIFMAVRRESRFPISEIIAQTPPIPDMAQWGIFLRNHDELTLEMVTDE  360
			  	361  ERDYMYAEYAKDPRMKANVGIRRRLAPLLDNDRNQIELFTALLLSLPGSPVLYYGDEIGM  420
			  	421  GDVIWLGDRDGVRIPMQWTPDRNAGFSTANPGRLYLPPSQDPVYGYQAVNVEAQRDTSTS  480
			  	481  LLNFTRTMLAVRRRHPAFAVGAFQELGGSNPSVLAYVRQVAGDDGDTVLCVNNLSRFPQP  540
			  	541  IELDLQQWTNYTPVELTGHVEFPRIGQVPYLLTLPGHGFYWFQLTTHEVGAPPTCGGERR  600
			  	601  L

Known structures in the PDB

	PDB ID	4LXF
	Total residue count	1240
	Number of chains	2
	Method	X-RAY
	Resolution	2.6

Number of amino acids : 601

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
Alpha-amylase	PF00128	66-425
DUF3459	PF11941	484-582

Mtb Structural Proteome models

Model Number	1
Model name	Rv0126
Template	1WZA APDB CREDO
Template coverage	30_513
Template Identity(%)	32.9
Model coverage(%)	89.5
Normalized DOPE score	-0.325

Model Number	2
Model name	Rv0126.1
Template	1EA9 CPDB CREDO
Template coverage	94_583
Template Identity(%)	24.7
Model coverage(%)	97.5
Normalized DOPE score	0.595

Structure Models from Chopin

Model Number	1
Profile	c.1.8.1 Click for model details
zscore	31.04
Residue begin	66
Residue end	425

Model Number	2
Profile	c.1.8.1 Click for model details
zscore	28.99
Residue begin	1
Residue end	601

Model Number	3
Profile	3.90.400.10 Click for model details
zscore	18.23
Residue begin	139
Residue end	216

Binding pockets

STRING

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

Protein interacting with Rv0126	Gene name	Confidence Score
Rv0127	mak	0.999
Rv3490	otsA	0.984
Rv3372	otsB2	0.954
Rv1563c	treY	0.945
Rv1562c	treZ	0.941
Rv1562c	treZ	0.941
Rv1327c	glgE	0.925
Rv1327c	glgE	0.925
Rv1326c	glgB	0.902
Rv1326c	glgB	0.902
Rv1326c	glgB	0.902

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0126.1	13	1opj_STI_A_3 PDB CREDO	0.579	0.205	0.579	0.003
Rv0126.1	13	1opj_STI_B_4 PDB CREDO	0.571	0.215	0.571	0.004
Rv0126.1	13	3k5v_STI_A_2 PDB CREDO	0.584	0.199	0.568	0.004
Rv0126.1	13	3k5v_STI_B_2 PDB CREDO	0.612	0.164	0.563	0.004
Rv0126.1	13	2hyy_STI_C_600 PDB CREDO	0.612	0.165	0.562	0.004
Rv0126.1	13	3mss_STI_D_1 PDB CREDO	0.611	0.166	0.562	0.004
Rv0126.1	13	1iep_STI_A_201 PDB CREDO	0.610	0.168	0.560	0.004
Rv0126.1	13	2hyy_STI_D_600 PDB CREDO	0.609	0.169	0.559	0.004
Rv0126.1	13	3mss_STI_A_1 PDB CREDO	0.609	0.169	0.559	0.004
Rv0126.1	13	3ms9_STI_A_1 PDB CREDO	0.608	0.170	0.559	0.004
Rv0126.1	13	3mss_STI_B_1 PDB CREDO	0.608	0.170	0.559	0.004
Rv0126.1	13	3mss_STI_C_1 PDB CREDO	0.608	0.170	0.559	0.004
Rv0126.1	13	3ms9_STI_B_1 PDB CREDO	0.607	0.171	0.558	0.004
Rv0126.1	13	3pyy_STI_A_3 PDB CREDO	0.607	0.171	0.558	0.004
Rv0126.1	13	3pyy_STI_B_4 PDB CREDO	0.607	0.171	0.558	0.004
Rv0126.1	13	3gvu_STI_A_1001 PDB CREDO	0.606	0.172	0.557	0.004
Rv0126.1	13	1iep_STI_B_202 PDB CREDO	0.605	0.173	0.556	0.005
Rv0126.1	13	2hyy_STI_A_600 PDB CREDO	0.605	0.173	0.556	0.005
Rv0126.1	13	1t46_STI_A_3 PDB CREDO	0.596	0.184	0.549	0.005
Rv0126.1	13	1uwj_BAX_A_1723 PDB CREDO	0.580	0.203	0.549	0.005
Rv0126.1	13	3oez_STI_A_601 PDB CREDO	0.597	0.182	0.549	0.005
Rv0126.1	13	3cs9_NIL_C_600 PDB CREDO	0.591	0.190	0.545	0.005
Rv0126.1	13	4asd_BAX_A_1500 PDB CREDO	0.622	0.153	0.540	0.006
Rv0126.1	13	3cs9_NIL_D_600 PDB CREDO	0.585	0.198	0.539	0.006
Rv0126.1	13	3el9_DR7_A_100 PDB CREDO	0.564	0.225	0.534	0.007
Rv0126.1	13	2hyy_STI_B_600 PDB CREDO	0.633	0.142	0.532	0.007
Rv0126.1	13	2fxd_DR7_A_102 PDB CREDO	0.559	0.232	0.529	0.007
Rv0126.1	13	3cs9_NIL_A_600 PDB CREDO	0.529	0.275	0.529	0.007
Rv0126.1	13	2vn1_FK5_A_501 PDB CREDO	0.520	0.288	0.520	0.008
Rv0126.1	13	3cs9_NIL_B_600 PDB CREDO	0.531	0.271	0.517	0.008
Rv0126.1	13	3rgf_BAX_A_465 PDB CREDO	0.545	0.251	0.516	0.009
Rv0126.1	13	1uwj_BAX_B_1723 PDB CREDO	0.594	0.187	0.514	0.009
Rv0126.1	12	2w26_RIV_A_1001 PDB CREDO	0.528	0.276	0.508	0.010
Rv0126.1	13	2pl0_STI_A_200 PDB CREDO	0.599	0.180	0.504	0.010
Rv0126.1	12	3hku_TOR_A_300 PDB CREDO	0.586	0.196	0.503	0.010
Rv0126.1	13	2qxs_RAL_A_600 PDB CREDO	0.516	0.294	0.502	0.011
Rv0126.1	13	2qxs_RAL_B_600 PDB CREDO	0.514	0.297	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
cellopentaosePubChem	0.902	828.718
hydroxyl radicalsPubChem	0.9	17.0073
AmylopentaosePubChem	0.9	828.718
trehalosePubChem	0.896	342.296
trehalose-6-phosphatePubChem	0.728	422.276