SInCRe - Rv1379

Tuberculist information

Gene name	pyrR
Protein function	Probable pyrimidine operon regulatory protein PyrR
Functional category(tuberculist)	regulatory proteins
Gene location(kb)	1552.65
Molecular mass(da)	20626.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 193

	  		  	1    MGAAGDAAIGRESRELMSAADVGRTISRIAHQIIEKTALDDPVGPDAPRVVLLGIPTRGV   60
			  	61   TLANRLAGNITEYSGIHVGHGALDITLYRDDLMIKPPRPLASTSIPAGGIDDALVILVDD  120
			  	121  VLYSGRSVRSALDALRDVGRPRAVQLAVLVDRGHRELPLRADYVGKNVPTSRSESVHVRL  180
			  	181  REHDGRDGVVISR

Known structures in the PDB

	PDB ID	1W30
	Total residue count	402
	Number of chains	2
	Method	X-RAY
	Resolution	1.9

Number of amino acids : 193

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
Pribosyltran	PF00156	14-150

Mtb Structural Proteome models

Model Number	1
Model name	Rv1379_1w30_A
Template	1W30 APDB CREDO
Template coverage	12_193
Template Identity(%)	100.0
Model coverage(%)	93.3
Normalized DOPE score	-2.301

Model Number	2
Model name	Rv1379
Template	1W30 APDB CREDO
Template coverage	12_193
Template Identity(%)	99.4
Model coverage(%)	93.3
Normalized DOPE score	-1.685

Structure Models from Chopin

Model Number	1
Profile	c.61.1.1 - 3.40.50.2020 Click for model details
zscore	14.07
Residue begin	1
Residue end	193

Binding pockets

STRING

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

Protein interacting with Rv1379	Gene name	Confidence Score
Rv1380	pyrB	0.999
Rv1380	pyrB	0.999
Rv1385	pyrF	0.999
Rv1383	carA	0.998
Rv1383	carA	0.998
Rv1381	pyrC	0.995
Rv3309c	upp	0.992
Rv2139	pyrD	0.991
Rv0382c	pyrE	0.982
Rv1384	carB	0.981
Rv1384	carB	0.981
Rv1384	carB	0.981
Rv1384	carB	0.981
Rv2883c	pyrH	0.975
Rv0772	purD	0.946
Rv0772	purD	0.946
Rv0772	purD	0.946
Rv1021	Rv1021	0.941
Rv3314c	deoA	0.934
Rv3314c	deoA	0.934
Rv3314c	deoA	0.934
Rv0957	purH	0.927
Rv0957	purH	0.927
Rv1699	pyrG	0.919
Rv1699	pyrG	0.919
Rv1712	cmk	0.913
Rv3307	deoD	0.903

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1379_1w30_A	3	3ret_SAL_B_201 PDB CREDO	0.622	0.154	0.622	0.001
Rv1379_1w30_A	3	3ret_SAL_A_201 PDB CREDO	0.619	0.157	0.619	0.001
Rv1379_1w30_A	3	3hgx_SAL_A_102 PDB CREDO	0.616	0.161	0.616	0.002
Rv1379_1w30_A	3	3hgx_SAL_B_104 PDB CREDO	0.616	0.161	0.616	0.002
Rv1379_1w30_A	11	1hwk_117_B_1 PDB CREDO	0.657	0.118	0.572	0.003
Rv1379_1w30_A	3	3rem_SAL_A_301 PDB CREDO	0.667	0.109	0.569	0.004
Rv1379_1w30_A	11	1t46_STI_A_3 PDB CREDO	0.583	0.199	0.568	0.004
Rv1379_1w30_A	3	1sn0_T44_B_602 PDB CREDO	0.631	0.144	0.567	0.004
Rv1379_1w30_A	3	3rem_SAL_B_301 PDB CREDO	0.658	0.117	0.562	0.004
Rv1379_1w30_A	11	1xkk_FMM_A_91 PDB CREDO	0.603	0.175	0.557	0.004
Rv1379_1w30_A	3	3ug2_IRE_A_1 PDB CREDO	0.682	0.096	0.554	0.005
Rv1379_1w30_A	11	1hwl_FBI_B_1 PDB CREDO	0.681	0.096	0.543	0.006
Rv1379_1w30_A	11	1hwl_FBI_D_3 PDB CREDO	0.681	0.096	0.543	0.006
Rv1379_1w30_A	11	1hwk_117_A_2 PDB CREDO	0.660	0.115	0.542	0.006
Rv1379_1w30_A	11	1hwk_117_C_4 PDB CREDO	0.660	0.115	0.542	0.006
Rv1379_1w30_A	11	1uwj_BAX_A_1723 PDB CREDO	0.604	0.174	0.541	0.006
Rv1379_1w30_A	11	1hwl_FBI_A_2 PDB CREDO	0.671	0.105	0.535	0.006
Rv1379_1w30_A	11	1hwl_FBI_C_4 PDB CREDO	0.671	0.105	0.535	0.006
Rv1379_1w30_A	3	3rf4_FUN_A_201 PDB CREDO	0.623	0.152	0.532	0.007
Rv1379_1w30_A	3	3rf4_FUN_C_203 PDB CREDO	0.619	0.157	0.528	0.007
Rv1379_1w30_A	11	3gp0_NIL_A_1 PDB CREDO	0.556	0.235	0.528	0.007
Rv1379_1w30_A	11	1hwk_117_D_3 PDB CREDO	0.683	0.095	0.528	0.007
Rv1379_1w30_A	3	3rf4_FUN_B_202 PDB CREDO	0.614	0.162	0.524	0.008
Rv1379_1w30_A	11	1hwi_115_D_3 PDB CREDO	0.720	0.066	0.523	0.008
Rv1379_1w30_A	11	1hwi_115_B_1 PDB CREDO	0.719	0.067	0.522	0.008
Rv1379_1w30_A	11	3bjw_SVR_E_503 PDB CREDO	0.507	0.307	0.507	0.010
Rv1379_1w30_A	3	3hm1_J3Z_A_2 PDB CREDO	0.716	0.069	0.504	0.010
Rv1379_1w30_A	11	3tne_RIT_B_401 PDB CREDO	0.694	0.086	0.504	0.010
Rv1379_1w30_A	3	2bxg_IBP_B_2002 PDB CREDO	0.563	0.226	0.503	0.010
Rv1379_1w30_A	3	2xn3_ID8_A_1356 PDB CREDO	0.530	0.272	0.502	0.011
Rv1379_1w30_A	11	3el9_DR7_A_100 PDB CREDO	0.501	0.318	0.501	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
polyuridylic acidPubChem	0.974	324.181
uracilPubChem	0.969	112.087
selenomethioninePubChem	0.704	196.106
chloridePubChem	0.704	35.453
SeMetPubChem	0.704	196.106