SInCRe - Rv2438c

Tuberculist information

Gene name	nadE
Protein function	Glutamine-dependent NAD(+) synthetase NadE (NAD(+) synthase [glutamine-hydrolysing])
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2734.79
Molecular mass(da)	74682.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 679

	  		  	1    MNFYSAYQHGFVRVAACTHHTTIGDPAANAASVLDMARACHDDGAALAVFPELTLSGYSI   60
			  	61   EDVLLQDSLLDAVEDALLDLVTESADLLPVLVVGAPLRHRHRIYNTAVVIHRGAVLGVVP  120
			  	121  KSYLPTYREFYERRQMAPGDGERGTIRIGGADVAFGTDLLFAASDLPGFVLHVEICEDMF  180
			  	181  VPMPPSAEAALAGATVLANLSGSPITIGRAEDRRLLARSASARCLAAYVYAAAGEGESTT  240
			  	241  DLAWDGQTMIWENGALLAESERFPKGVRRSVADVDTELLRSERLRMGTFDDNRRHHRELT  300
			  	301  ESFRRIDFALDPPAGDIGLLREVERFPFVPADPQRLQQDCYEAYNIQVSGLEQRLRALDY  360
			  	361  PKVVIGVSGGLDSTHALIVATHAMDREGRPRSDILAFALPGFATGEHTKNNAIKLARALG  420
			  	421  VTFSEIDIGDTARLMLHTIGHPYSVGEKVYDVTFENVQAGLRTDYLFRIANQRGGIVLGT  480
			  	481  GDLSELALGWSTYGVGDQMSHYNVNAGVPKTLIQHLIRWVISAGEFGEKVGEVLQSVLDT  540
			  	541  EITPELIPTGEEELQSSEAKVGPFALQDFSLFQVLRYGFRPSKIAFLAWHAWNDAERGNW  600
			  	601  PPGFPKSERPSYSLAEIRHWLQIFVQRFYSFSQFKRSALPNGPKVSHGGALSPRGDWRAP  660
			  	661  SDMSARIWLDQIDREVPKG

Known structures in the PDB

	PDB ID	3DLA
	Total residue count	2720
	Number of chains	4
	Method	X-RAY
	Resolution	2.35

	PDB ID	3SDB
	Total residue count	680
	Number of chains	1
	Method	X-RAY
	Resolution	2

	PDB ID	3SEQ
	Total residue count	2720
	Number of chains	4
	Method	X-RAY
	Resolution	2.73

	PDB ID	3SEZ
	Total residue count	2720
	Number of chains	4
	Method	X-RAY
	Resolution	2.65

	PDB ID	3SYT
	Total residue count	2720
	Number of chains	4
	Method	X-RAY
	Resolution	2.65

	PDB ID	3SZG
	Total residue count	2720
	Number of chains	4
	Method	X-RAY
	Resolution	2.25

Number of amino acids : 679

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
CN_hydrolase	PF00795	12-202
NAD_synthase	PF02540	343-548

Mtb Structural Proteome models

Model Number	1
Model name	Rv2438c_3dla_A
Template	3DLA APDB CREDO
Template coverage	0_679
Template Identity(%)	100.0
Model coverage(%)	100.0
Normalized DOPE score	-1.488

Model Number	2
Model name	Rv2438c
Template	1J31 APDB CREDO
Template coverage	1_261
Template Identity(%)	22.6
Model coverage(%)	42.6
Normalized DOPE score	0.372

Structure Models from Chopin

Model Number	1
Profile	d.160.1.2 - 3.60.110.10 Click for model details
zscore	21.47
Residue begin	12
Residue end	202

Model Number	2
Profile	c.26.2.1 - 3.40.50.620 Click for model details
zscore	21.42
Residue begin	343
Residue end	548

Model Number	3
Profile	3.60.110.10 Click for model details
zscore	15.51
Residue begin	7
Residue end	303

Model Number	4
Profile	d.13.1.1, d.160.1.1 - 3.30.428.10, 3.60.110.10 Click for model details
zscore	12.22
Residue begin	7
Residue end	419

Model Number	5
Profile	c.26.2.1 - 3.40.50.620 Click for model details
zscore	11.82
Residue begin	320
Residue end	661

Binding pockets

STRING

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

Protein interacting with Rv2438c	Gene name	Confidence Score
Rv2421c	nadD	0.951
Rv3396c	guaA	0.917
Rv3396c	guaA	0.917
Rv3396c	guaA	0.917

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
nicotinic acid adenine dinucleotidePubChem	0.994	665.418
polyglutaminePubChem	0.923	146.145
glutamatePubChem	0.909	147.129
ONLPubChem	0.9	145.156
nicotinate adenine dinucleotidePubChem	0.9	665.418
H(+)PubChem	0.9	2.01588
deuteriumPubChem	0.9	2.01588
protiumPubChem	0.9	2.01576
nicotinic acid mononucleotidePubChem	0.9	336.212
adenosine triphosphatePubChem	0.9	507.181
pyrophosphatePubChem	0.9	177.975
glutaminPubChem	0.9	146.145
glycerolPubChem	0.9	92.0938
nicotinate mononucleotidePubChem	0.9	335.204
NAD+PubChem	0.9	663.425
adenosine monophosphatePubChem	0.9	347.221
hydroxyl radicalsPubChem	0.9	17.0073