SInCRe - Rv2043c

Tuberculist information

Gene name	pncA
Protein function	Pyrazinamidase/nicotinamidase PncA (PZase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2288.68
Molecular mass(da)	19604.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 186

	  		  	1    MRALIIVDVQNDFCEGGSLAVTGGAALARAISDYLAEAADYHHVVATKDFHIDPGDHFSG   60
			  	61   TPDYSSSWPPHCVSGTPGADFHPSLDTSAIEAVFYKGAYTGAYSGFEGVDENGTPLLNWL  120
			  	121  RQRGVDEVDVVGIATDHCVRQTAEDAVRNGLATRVLVDLTAGVSADTTVAALEEMRTASV  180
			  	181  ELVCSS

Known structures in the PDB

	PDB ID	3PL1
	Total residue count	186
	Number of chains	1
	Method	X-RAY
	Resolution	2.2

Number of amino acids : 186

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
Isochorismatase	PF00857	2-186

Mtb Structural Proteome models

Model Number	1
Model name	Rv2043c_3gbc_A
Template	3GBC APDB CREDO
Template coverage	1_185
Template Identity(%)	100.0
Model coverage(%)	98.9
Normalized DOPE score	-1.53

Model Number	2
Model name	Rv2043c
Template	1IM5 APDB CREDO
Template coverage	5_178
Template Identity(%)	39.1
Model coverage(%)	96.8
Normalized DOPE score	-0.998

Structure Models from Chopin

Model Number	1
Profile	c.33.1.3 - 3.40.50.850 Click for model details
zscore	21.82
Residue begin	1
Residue end	186

Binding pockets

STRING

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

Protein interacting with Rv2043c	Gene name	Confidence Score
Rv0573c	pncB2	0.988
Rv1330c	pncB1	0.983
Rv0667	rpoB	0.973
Rv0667	rpoB	0.973
Rv0667	rpoB	0.973
Rv0667	rpoB	0.973
Rv0667	rpoB	0.973
Rv0667	rpoB	0.973
Rv2042c	Rv2042c	0.951
Rv0682	rpsL	0.949
Rv2044c	Rv2044c	0.949
Rv0006	gyrA	0.939
Rv0006	gyrA	0.939
Rv3393	iunH	0.934
Rv3307	deoD	0.929
Rv0005	gyrB	0.92
Rv0005	gyrB	0.92
Rv0005	gyrB	0.92
Rv0005	gyrB	0.92
Rv1908c	katG	0.918
Rv2428	ahpC	0.917

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2043c_3gbc_A	2	3sv7_SV6_A_1 PDB CREDO	0.539	0.260	0.518	0.008
Rv2043c_3gbc_A	2	1ki3_PE2_A_1 PDB CREDO	0.515	0.296	0.515	0.009
Rv2043c_3gbc_A	2	3sv6_SV6_A_1 PDB CREDO	0.533	0.269	0.512	0.009
Rv2043c_3gbc_A	2	3sv9_SV6_A_1 PDB CREDO	0.550	0.244	0.509	0.010

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
nicotinic acidPubChem	0.997	122.101
pyrazinoic acidPubChem	0.995	124.097
pyrazinamidePubChem	0.992	123.113
vitamin BPubChem	0.954	122.125
ammoniaPubChem	0.953	17.0305
Fe(III)PubChem	0.92	55.845
deuteriumPubChem	0.905	2.01588
hydroxyl radicalsPubChem	0.9	17.0073
manganesePubChem	0.9	54.938
H(+)PubChem	0.9	2.01588
nicotinamide ribosidePubChem	0.9	255.247
protiumPubChem	0.9	2.01576
D-ribosePubChem	0.9	150.13
ribosePubChem	0.9	150.13
zincPubChem	0.82	65.409
thiophene-2-carboxylic acid hydrazidePubChem	0.801	142.179
phenoxyacetic acidPubChem	0.799	152.147
Tween 80PubChem	0.792	604.813
isoniazidPubChem	0.783	137.139
ethambutolPubChem	0.779	204.31
rifampicinPubChem	0.778	822.94
streptomycinPubChem	0.757	581.574
N-carbamoylsarcosinePubChem	0.752	132.118
selenomethioninePubChem	0.724	196.106
MABAPubChem	0.724	137.136
SeMetPubChem	0.724	196.106
chloridePubChem	0.72	35.453