SInCRe - Rv2178c

Tuberculist information

Gene name	aroG
Protein function	3-deoxy-D-arabino-heptulosonate 7-phosphate synthase AroG (DAHP synthetase, phenylalanine-repressible)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2440.33
Molecular mass(da)	50641.4
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 462

	  		  	1    MNWTVDIPIDQLPSLPPLPTDLRTRLDAALAKPAAQQPTWPADQALAMRTVLESVPPVTV   60
			  	61   PSEIVRLQEQLAQVAKGEAFLLQGGDCAETFMDNTEPHIRGNVRALLQMAVVLTYGASMP  120
			  	121  VVKVARIAGQYAKPRSADIDALGLRSYRGDMINGFAPDAAAREHDPSRLVRAYANASAAM  180
			  	181  NLVRALTSSGLASLHLVHDWNREFVRTSPAGARYEALATEIDRGLRFMSACGVADRNLQT  240
			  	241  AEIYASHEALVLDYERAMLRLSDGDDGEPQLFDLSAHTVWIGERTRQIDGAHIAFAQVIA  300
			  	301  NPVGVKLGPNMTPELAVEYVERLDPHNKPGRLTLVSRMGNHKVRDLLPPIVEKVQATGHQ  360
			  	361  VIWQCDPMHGNTHESSTGFKTRHFDRIVDEVQGFFEVHRALGTHPGGIHVEITGENVTEC  420
			  	421  LGGAQDISETDLAGRYETACDPRLNTQQSLELAFLVAEMLRD

Known structures in the PDB

	PDB ID	2B7O
	Total residue count	928
	Number of chains	2
	Method	X-RAY
	Resolution	2.3

	PDB ID	2W19
	Total residue count	1124
	Number of chains	4
	Method	X-RAY
	Resolution	2.15

	PDB ID	2W1A
	Total residue count	1124
	Number of chains	4
	Method	X-RAY
	Resolution	2.35

	PDB ID	2YPO
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	2

	PDB ID	2YPP
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	2.3

	PDB ID	2YPQ
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	2.76

	PDB ID	3KGF
	Total residue count	928
	Number of chains	2
	Method	X-RAY
	Resolution	2

	PDB ID	3NUD
	Total residue count	928
	Number of chains	2
	Method	X-RAY
	Resolution	3

	PDB ID	3NUE
	Total residue count	928
	Number of chains	2
	Method	X-RAY
	Resolution	2.5

	PDB ID	3NV8
	Total residue count	928
	Number of chains	2
	Method	X-RAY
	Resolution	2.25

	PDB ID	3PFP
	Total residue count	928
	Number of chains	2
	Method	X-RAY
	Resolution	2.35

	PDB ID	3RZI
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	1.95

Number of amino acids : 462

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
DAHP_synth_2	PF01474	23-457

Mtb Structural Proteome models

Model Number	1
Model name	Rv2178c_3kgf_A
Template	3KGF APDB CREDO
Template coverage	2_462
Template Identity(%)	100.0
Model coverage(%)	99.6
Normalized DOPE score	-1.815

Model Number	2
Model name	Rv2178c
Template	2B7O APDB CREDO
Template coverage	1_462
Template Identity(%)	100.0
Model coverage(%)	99.8
Normalized DOPE score	-1.292

Structure Models from Chopin

Model Number	1
Profile	c.1.10.8 Click for model details
zscore	91.68
Residue begin	1
Residue end	462

Binding pockets

STRING

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

Protein interacting with Rv2178c	Gene name	Confidence Score
Rv0948c	Rv0948c	0.983
Rv2538c	aroB	0.98

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
phosphoenolpyruvatePubChem	0.989	168.042
phosphatePubChem	0.989	96.9872
endo-oxabicyclicPubChem	0.979	228.199
1FigPubChem	0.979	228.199
DAHPPubChem	0.957	288.146
L-tryptophanPubChem	0.916	204.225
glycerolPubChem	0.902	92.0938
hydron sulfatePubChem	0.9	196.157
chloridePubChem	0.9	35.453
erythrose 4-phosphatePubChem	0.9	200.084
selenomethioninePubChem	0.9	196.106
SeMetPubChem	0.9	196.106
hydroxyl radicalsPubChem	0.9	17.0073
C12E8PubChem	0.9	538.755
hydron diphosphatePubChem	0.9	391.981
sulfatePubChem	0.9	96.0626
3-dehydroquinatePubChem	0.9	190.151
tetraethylene glycolPubChem	0.9	194.226
D-erythrose 4-phosphatePubChem	0.9	200.084
manganesePubChem	0.9	54.938
L-phenylalaninePubChem	0.9	165.189