SInCRe - Rv3628

Tuberculist information

Gene name	ppa
Protein function	Inorganic pyrophosphatase Ppa (pyrophosphate phospho-hydrolase) (PPASE) (inorganic diphosphatase) (diphosphate phospho-hydrolase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	4067.42
Molecular mass(da)	18296.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 162

	  		  	1    VQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALV   60
			  	61   LLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIK  120
			  	121  HFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH

Known structures in the PDB

	PDB ID	1SXV
	Total residue count	172
	Number of chains	1
	Method	X-RAY
	Resolution	1.3

	PDB ID	1WCF
	Total residue count	171
	Number of chains	1
	Method	X-RAY
	Resolution	1.54

	PDB ID	2UXS
	Total residue count	507
	Number of chains	3
	Method	X-RAY
	Resolution	2.7

	PDB ID	2V7S
	Total residue count	215
	Number of chains	1
	Method	X-RAY
	Resolution	1.96

Number of amino acids : 162

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
Pyrophosphatase	PF00719	4-159

Mtb Structural Proteome models

Model Number	1
Model name	Rv3628_1sxv_A
Template	1SXV APDB CREDO
Template coverage	0_159
Template Identity(%)	100.0
Model coverage(%)	98.1
Normalized DOPE score	-1.773

Model Number	2
Model name	Rv3628
Template	1SXV APDB CREDO
Template coverage	1_159
Template Identity(%)	100.0
Model coverage(%)	97.5
Normalized DOPE score	-1.466

Structure Models from Chopin

Model Number	1
Profile	b.40.5.1 - 3.90.80.10 Click for model details
zscore	36.94
Residue begin	1
Residue end	162

Binding pockets

STRING

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

Protein interacting with Rv3628	Gene name	Confidence Score
Rv1308	atpA	0.987
Rv1308	atpA	0.987
Rv1308	atpA	0.987
Rv2984	ppk1	0.983
Rv2984	ppk1	0.983
Rv2984	ppk1	0.983
Rv1310	atpD	0.98
Rv1310	atpD	0.98
Rv1310	atpD	0.98
Rv0993	galU	0.974
Rv0733	adk	0.971
Rv2580c	hisS	0.945
Rv2580c	hisS	0.945
Rv1309	atpG	0.943
Rv1023	eno	0.936
Rv1023	eno	0.936
Rv1304	atpB	0.928
Rv2448c	valS	0.925
Rv2448c	valS	0.925
Rv2448c	valS	0.925
Rv2445c	ndkA	0.924
Rv1306	atpF	0.921
Rv1617	pykA	0.917
Rv1617	pykA	0.917
Rv1311	atpC	0.913
Rv2150c	ftsZ	0.912
Rv0350	dnaK	0.912
Rv2150c	ftsZ	0.912
Rv2442c	rplU	0.907

Potential ligand/drug binding sites

No binding sites identified

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
phosphatePubChem	0.998	96.9872
pyrophosphatePubChem	0.995	177.975
sulfatePubChem	0.979	96.0626
hydron diphosphatePubChem	0.979	391.981
hydron sulfatePubChem	0.979	196.157
potassiumPubChem	0.973	39.0983
glycerolPubChem	0.97	92.0938
potassium hydridePubChem	0.967	40.1062
H(+)PubChem	0.927	2.01588
deuteriumPubChem	0.925	2.01588
magnesiumPubChem	0.925	24.305
glucose-1-phosphatePubChem	0.924	260.136
UDP-glucosePubChem	0.921	566.302
adenosine diphosphatePubChem	0.914	427.201
hydroxyl radicalsPubChem	0.903	17.0073
protiumPubChem	0.9	2.01576
uridine triphosphatePubChem	0.9	484.141
UDP-GlcPubChem	0.9	566.302
chloridePubChem	0.799	35.453
hydron; phosphonato phosphatePubChem	0.798	175.959
manganesePubChem	0.787	54.938
tetraethylene glycolPubChem	0.787	194.226
Na(+)PubChem	0.784	22.9898
pipemidic acidPubChem	0.783	303.316
calciumPubChem	0.77	40.078
fluoridePubChem	0.722	20.0063
selenomethioninePubChem	0.708	196.106
SeMetPubChem	0.708	196.106