SInCRe - Rv0693

Tuberculist information

Gene name	pqqE
Protein function	Probable coenzyme PQQ synthesis protein E PqqE (coenzyme PQQ synthesis protein III)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	792.157
Molecular mass(da)	42448.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 391

	  		  	1    MTSPVPRLIEQFERGLDAPICLTWELTYACNLACVHCLSSSGKRDPGELSTRQCKDIIDE   60
			  	61   LERMQVFYVNIGGGEPTVRPDFWELVDYATAHHVGVKFSTNGVRITPEVATRLAATDYVD  120
			  	121  VQISLDGATAEVNDAIRGTGSFDMAVRALQNLAAAGFAGVKISVVITRRNVAQLDEFATL  180
			  	181  ASRYGATLRITRLRPSGRGTDVWADLHPTADQQVQLYDWLVSKGERVLTGDSFFHLAPLG  240
			  	241  QSGALAGLNMCGAGRVVCLIDPVGDVYACPFAIHDHFLAGNVLSDGGFQNVWKNSSLFRE  300
			  	301  LREPQSAGACGSCGHYDSCRGGCMAAKFFTGLPLDGPDPECVQGHSEPALARERHLPRPR  360
			  	361  ADHSRGRRVSKPVPLTLSMRPPKRPCNESPV

Known structures in the PDB

No Known structures

Number of amino acids : 391

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
Fer4_12	PF13353	18-141
Radical_SAM	PF04055	24-181
DUF4008	PF13186	251-323

Mtb Structural Proteome models

Model Number	1
Model name	Rv0693
Template	1R30 APDB CREDO
Template coverage	17_311
Template Identity(%)	14.9
Model coverage(%)	73.4
Normalized DOPE score	0.096

Model Number	2
Model name	Rv0693.1
Template	1OLT APDB CREDO
Template coverage	32_438
Template Identity(%)	10.3
Model coverage(%)	98.7
Normalized DOPE score	0.549

Structure Models from Chopin

Model Number	1
Profile	c.1.28.3 - 3.20.20.70 Click for model details
zscore	19.69
Residue begin	24
Residue end	181

Model Number	2
Profile	c.1.28.3 - 3.20.20.70 Click for model details
zscore	18.5
Residue begin	1
Residue end	378

Model Number	3
Profile	3.80.30.10 Click for model details
zscore	14.28
Residue begin	66
Residue end	225

Binding pockets

STRING

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

Protein interacting with Rv0693	Gene name	Confidence Score
Rv0692	Rv0692	0.994
Rv0696	Rv0696	0.978
Rv0694	lldD1	0.954
Rv0695	Rv0695	0.918

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0693.1	4	1hwk_117_B_1 PDB CREDO	0.719	0.067	0.563	0.004
Rv0693.1	4	2v0z_C41_O_1327 PDB CREDO	0.586	0.196	0.557	0.004
Rv0693.1	4	2v0z_C41_C_1328 PDB CREDO	0.560	0.230	0.546	0.005
Rv0693.1	4	1hwk_117_A_2 PDB CREDO	0.716	0.069	0.529	0.007
Rv0693.1	4	1hwk_117_C_4 PDB CREDO	0.712	0.071	0.527	0.007
Rv0693.1	4	1hwl_FBI_B_1 PDB CREDO	0.729	0.060	0.523	0.008
Rv0693.1	4	1xkk_FMM_A_91 PDB CREDO	0.537	0.263	0.523	0.008
Rv0693.1	4	1hwl_FBI_D_3 PDB CREDO	0.729	0.061	0.523	0.008
Rv0693.1	4	2nni_MTK_A_501 PDB CREDO	0.687	0.091	0.523	0.008
Rv0693.1	4	1hwl_FBI_A_2 PDB CREDO	0.720	0.066	0.517	0.008
Rv0693.1	4	1hwl_FBI_C_4 PDB CREDO	0.718	0.068	0.515	0.009
Rv0693.1	4	1hwk_117_D_3 PDB CREDO	0.733	0.058	0.510	0.009
Rv0693.1	7	4agd_B49_A_2000 PDB CREDO	0.556	0.236	0.510	0.009
Rv0693.1	4	3ut5_LOC_B_502 PDB CREDO	0.729	0.060	0.508	0.010
Rv0693.1	4	3sm2_478_A_126 PDB CREDO	0.515	0.295	0.502	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

No high confidence interactions