SInCRe - Rv1295

Tuberculist information

Gene name	thrC
Protein function	Threonine synthase ThrC (ts)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1450.7
Molecular mass(da)	37321.9
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 360

	  		  	1    MTVPPTATHQPWPGVIAAYRDRLPVGDDWTPVTLLEGGTPLIAATNLSKQTGCTIHLKVE   60
			  	61   GLNPTGSFKDRGMTMAVTDALAHGQRAVLCASTGNTSASAAAYAARAGITCAVLIPQGKI  120
			  	121  AMGKLAQAVMHGAKIIQIDGNFDDCLELARKMAADFPTISLVNSVNPVRIEGQKTAAFEI  180
			  	181  VDVLGTAPDVHALPVGNAGNITAYWKGYTEYHQLGLIDKLPRMLGTQAAGAAPLVLGEPV  240
			  	241  SHPETIATAIRIGSPASWTSAVEAQQQSKGRFLAASDEEILAAYHLVARVEGVFVEPASA  300
			  	301  ASIAGLLKAIDDGWVARGSTVVCTVTGNGLKDPDTALKDMPSVSPVPVDPVAVVEKLGLA  360

Known structures in the PDB

	PDB ID	2D1F
	Total residue count	720
	Number of chains	2
	Method	X-RAY
	Resolution	2.5

Number of amino acids : 360

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
PALP	PF00291	32-327

Mtb Structural Proteome models

Model Number	1
Model name	Rv1295_2d1f_A
Template	2D1F APDB CREDO
Template coverage	10_358
Template Identity(%)	100.0
Model coverage(%)	96.7
Normalized DOPE score	-0.948

Model Number	2
Model name	Rv1295
Template	1V7C APDB CREDO
Template coverage	3_350
Template Identity(%)	58.8
Model coverage(%)	96.1
Normalized DOPE score	-0.614

Structure Models from Chopin

Model Number	1
Profile	c.79.1.1 Click for model details
zscore	38.17
Residue begin	1
Residue end	360

Model Number	2
Profile	3.40.50.1100 Click for model details
zscore	14.76
Residue begin	91
Residue end	343

Binding pockets

STRING

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

Protein interacting with Rv1295	Gene name	Confidence Score
Rv1294	thrA	0.998
Rv1294	thrA	0.998
Rv1294	thrA	0.998
Rv1296	thrB	0.997
Rv1296	thrB	0.997
Rv1293	lysA	0.996
Rv1293	lysA	0.996
Rv3708c	asd	0.962
Rv3708c	asd	0.962
Rv0189c	ilvD	0.961
Rv3709c	ask	0.957
Rv3709c	ask	0.957
Rv3709c	ask	0.957
Rv2614c	thrS	0.934
Rv2614c	thrS	0.934
Rv2614c	thrS	0.934
Rv3001c	ilvC	0.933
Rv3001c	ilvC	0.933
Rv1559	ilvA	0.929
Rv1559	ilvA	0.929
Rv3838c	pheA	0.928
Rv3838c	pheA	0.928
Rv0884c	serC	0.927
Rv2995c	leuB	0.923

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1295_2d1f_A	6	2trt_TAC_A_222 PDB CREDO	0.642	0.132	0.642	0.001
Rv1295_2d1f_A	6	2o7o_DXT_A_222 PDB CREDO	0.641	0.134	0.641	0.001
Rv1295_2d1f_A	2	1xkk_FMM_A_91 PDB CREDO	0.748	0.049	0.629	0.001
Rv1295_2d1f_A	2	3sm2_478_A_126 PDB CREDO	0.703	0.079	0.622	0.001
Rv1295_2d1f_A	6	2vke_TAC_A_222 PDB CREDO	0.670	0.105	0.619	0.001
Rv1295_2d1f_A	6	2xpw_OTC_A_222 PDB CREDO	0.669	0.107	0.618	0.002
Rv1295_2d1f_A	6	1i2w_CFX_A_1300 PDB CREDO	0.588	0.194	0.588	0.003
Rv1295_2d1f_A	6	1i2w_CFX_B_2300 PDB CREDO	0.584	0.198	0.584	0.003
Rv1295_2d1f_A	6	2xn5_FUN_A_1356 PDB CREDO	0.576	0.210	0.576	0.003
Rv1295_2d1f_A	6	2xrl_DXT_A_1211 PDB CREDO	0.647	0.128	0.571	0.004
Rv1295_2d1f_A	2	1t46_STI_A_3 PDB CREDO	0.706	0.076	0.564	0.004
Rv1295_2d1f_A	6	2xpv_MIY_A_1209 PDB CREDO	0.727	0.062	0.558	0.004
Rv1295_2d1f_A	6	1jip_KTN_A_801 PDB CREDO	0.579	0.205	0.556	0.005
Rv1295_2d1f_A	6	1fr6_AZR_A_362 PDB CREDO	0.622	0.154	0.553	0.005
Rv1295_2d1f_A	6	1ll9_AXL_B_964 PDB CREDO	0.599	0.180	0.552	0.005
Rv1295_2d1f_A	2	2q64_1UN_B_1001 PDB CREDO	0.606	0.172	0.550	0.005
Rv1295_2d1f_A	2	2pym_1UN_A_1001 PDB CREDO	0.605	0.173	0.549	0.005
Rv1295_2d1f_A	2	2qak_1UN_A_1001 PDB CREDO	0.603	0.175	0.548	0.005
Rv1295_2d1f_A	2	2xkw_P1B_A_1478 PDB CREDO	0.634	0.141	0.547	0.005
Rv1295_2d1f_A	6	3sv8_SV6_A_1 PDB CREDO	0.568	0.219	0.545	0.005
Rv1295_2d1f_A	2	2pyn_1UN_A_1001 PDB CREDO	0.601	0.178	0.545	0.005
Rv1295_2d1f_A	2	2q63_1UN_A_1001 PDB CREDO	0.600	0.179	0.545	0.005
Rv1295_2d1f_A	2	3bjw_SVR_B_501 PDB CREDO	0.647	0.128	0.544	0.006
Rv1295_2d1f_A	6	1jin_KTN_A_801 PDB CREDO	0.566	0.222	0.544	0.006
Rv1295_2d1f_A	2	3bjw_SVR_E_503 PDB CREDO	0.698	0.083	0.542	0.006
Rv1295_2d1f_A	6	3upn_IM2_B_800 PDB CREDO	0.642	0.133	0.542	0.006
Rv1295_2d1f_A	2	3gp0_NIL_A_1 PDB CREDO	0.660	0.115	0.541	0.006
Rv1295_2d1f_A	2	3bjw_SVR_F_502 PDB CREDO	0.638	0.136	0.537	0.006
Rv1295_2d1f_A	6	1ict_T44_D_129 PDB CREDO	0.558	0.232	0.536	0.006
Rv1295_2d1f_A	2	3bjw_SVR_H_504 PDB CREDO	0.638	0.137	0.536	0.006
Rv1295_2d1f_A	6	3f4x_KLT_A_300 PDB CREDO	0.602	0.177	0.535	0.006
Rv1295_2d1f_A	2	1sa1_POD_B_700 PDB CREDO	0.838	0.013	0.535	0.006
Rv1295_2d1f_A	2	1c6z_ROC_B_505 PDB CREDO	0.589	0.193	0.534	0.006
Rv1295_2d1f_A	2	3el4_ROC_A_100 PDB CREDO	0.532	0.270	0.532	0.007
Rv1295_2d1f_A	6	1zgf_TRU_A_300 PDB CREDO	0.598	0.181	0.532	0.007
Rv1295_2d1f_A	2	2v0z_C41_O_1327 PDB CREDO	0.646	0.128	0.530	0.007
Rv1295_2d1f_A	6	2pou_I7A_A_1000 PDB CREDO	0.595	0.185	0.529	0.007
Rv1295_2d1f_A	6	2xn6_T44_A_1370 PDB CREDO	0.529	0.274	0.529	0.007
Rv1295_2d1f_A	2	2v0z_C41_C_1328 PDB CREDO	0.597	0.182	0.529	0.007
Rv1295_2d1f_A	6	3bl1_BL1_A_300 PDB CREDO	0.593	0.187	0.528	0.007
Rv1295_2d1f_A	6	2xn7_T44_A_1355 PDB CREDO	0.527	0.278	0.527	0.007
Rv1295_2d1f_A	6	1kvl_CLS_A_371 PDB CREDO	0.651	0.124	0.526	0.007
Rv1295_2d1f_A	2	3frq_ERY_A_195 PDB CREDO	0.798	0.026	0.524	0.008
Rv1295_2d1f_A	6	1uho_VDN_A_1000 PDB CREDO	0.569	0.218	0.524	0.008
Rv1295_2d1f_A	2	2nni_MTK_A_501 PDB CREDO	0.796	0.026	0.523	0.008
Rv1295_2d1f_A	2	1sa1_POD_D_701 PDB CREDO	0.844	0.012	0.523	0.008
Rv1295_2d1f_A	6	1fr6_AZR_B_362 PDB CREDO	0.585	0.197	0.520	0.008
Rv1295_2d1f_A	2	1hwk_117_B_1 PDB CREDO	0.764	0.040	0.517	0.008
Rv1295_2d1f_A	2	1t7i_017_A_200 PDB CREDO	0.516	0.294	0.516	0.009
Rv1295_2d1f_A	2	1uwj_BAX_A_1723 PDB CREDO	0.741	0.053	0.516	0.009
Rv1295_2d1f_A	2	1k6c_MK1_B_902 PDB CREDO	0.513	0.298	0.513	0.009
Rv1295_2d1f_A	2	3ut5_LOC_B_502 PDB CREDO	0.849	0.011	0.510	0.009
Rv1295_2d1f_A	6	1oq5_CEL_A_701 PDB CREDO	0.638	0.136	0.508	0.010
Rv1295_2d1f_A	2	3kk6_CEL_A_701 PDB CREDO	0.598	0.181	0.503	0.010
Rv1295_2d1f_A	2	2aof_FRD_C_305 PDB CREDO	0.515	0.296	0.503	0.010
Rv1295_2d1f_A	6	2h42_VIA_B_902 PDB CREDO	0.629	0.146	0.501	0.011
Rv1295_2d1f_A	6	3pbq_IM2_A_999 PDB CREDO	0.592	0.188	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
pyridoxal phosphatePubChem	0.992	247.142
phosphatePubChem	0.981	96.9872
homoserinePubChem	0.979	119.119
L-homoserinePubChem	0.964	119.119
L-threoninePubChem	0.948	119.119
O-phosphohomoserinePubChem	0.92	199.099
alpha-ketobutyratePubChem	0.902	102.089
protiumPubChem	0.9	2.01576
deuteriumPubChem	0.9	2.01588
hydroxyl radicalsPubChem	0.9	17.0073
H(+)PubChem	0.9	2.01588
adenosine diphosphatePubChem	0.9	427.201
L-threo-3-hydroxy-homoserine phosphatePubChem	0.9	214.091
ammoniaPubChem	0.9	17.0305
4TPPubChem	0.9	215.098
O-PhosphorylhomoserinePubChem	0.9	199.099
L-allo-threoninePubChem	0.9	119.119
adenosine triphosphatePubChem	0.9	507.181
hydron sulfatePubChem	0.704	196.157
sulfatePubChem	0.704	96.0626
HeyPubChem	0.701	426.253
hydron diphosphatePubChem	0.701	391.981