SInCRe - Rv3709c

Tuberculist information

Gene name	ask
Protein function	Aspartokinase Ask (aspartate kinase) [contains: aspartokinase alpha subunit (Ask-alpha); and aspartokinase beta subunit (Ask-beta)]
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	4152.22
Molecular mass(da)	44429.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 421

	  		  	1    VALVVQKYGGSSVADAERIRRVAERIVATKKQGNDVVVVVSAMGDTTDDLLDLAQQVCPA   60
			  	61   PPPRELDMLLTAGERISNALVAMAIESLGAHARSFTGSQAGVITTGTHGNAKIIDVTPGR  120
			  	121  LQTALEEGRVVLVAGFQGVSQDTKDVTTLGRGGSDTTAVAMAAALGADVCEIYTDVDGIF  180
			  	181  SADPRIVRNARKLDTVTFEEMLEMAACGAKVLMLRCVEYARRHNIPVHVRSSYSDRPGTV  240
			  	241  VVGSIKDVPMEDPILTGVAHDRSEAKVTIVGLPDIPGYAAKVFRAVADADVNIDMVLQNV  300
			  	301  SKVEDGKTDITFTCSRDVGPAAVEKLDSLRNEIGFSQLLYDDHIGKVSLIGAGMRSHPGV  360
			  	361  TATFCEALAAVGVNIELISTSEIRISVLCRDTELDKAVVALHEAFGLGGDEEATVYAGTG  420
			  	421  R

Known structures in the PDB

	PDB ID	3S1T
	Total residue count	373
	Number of chains	3
	Method	X-RAY
	Resolution	1.63

	PDB ID	4GO5
	Total residue count	200
	Number of chains	1
	Method	X-RAY
	Resolution	2.6

	PDB ID	4GO7
	Total residue count	200
	Number of chains	1
	Method	X-RAY
	Resolution	2

Number of amino acids : 421

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
AA_kinase	PF00696	2-231
ACT	PF01842	266-331
ACT_7	PF13840	339-403

Mtb Structural Proteome models

Model Number	1
Model name	Rv3709c
Template	2CDQ APDB CREDO
Template coverage	30_487
Template Identity(%)	32.5
Model coverage(%)	96.2
Normalized DOPE score	-0.116

Structure Models from Chopin

Model Number	1
Profile	c.73.1.3 - 3.40.1160.10 Click for model details
zscore	28.57
Residue begin	2
Residue end	231

Model Number	2
Profile	c.73.1.3, d.58.18.10 Click for model details
zscore	12.48
Residue begin	1
Residue end	66

Model Number	3
Profile	d.58.18.10 Click for model details
zscore	5.52
Residue begin	266
Residue end	331

Model Number	4
Profile	d.58.18.10 Click for model details
zscore	5.52
Residue begin	348
Residue end	413

Binding pockets

STRING

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

Protein interacting with Rv3709c	Gene name	Confidence Score
Rv3708c	asd	0.999
Rv3708c	asd	0.999
Rv1294	thrA	0.998
Rv1294	thrA	0.998
Rv1294	thrA	0.998
Rv1293	lysA	0.992
Rv1293	lysA	0.992
Rv1658	argG	0.989
Rv2753c	dapA	0.973
Rv2773c	dapB	0.969
Rv2773c	dapB	0.969
Rv1380	pyrB	0.958
Rv1380	pyrB	0.958
Rv1295	thrC	0.957
Rv3754	tyrA	0.956
Rv2726c	dapF	0.953
Rv1296	thrB	0.943
Rv1296	thrB	0.943
Rv1656	argF	0.929
Rv1656	argF	0.929
Rv0337c	aspC	0.927
Rv1023	eno	0.92
Rv1023	eno	0.92
Rv2201	asnB	0.913
Rv2201	asnB	0.913
Rv2210c	ilvE	0.911
Rv1437	pgk	0.91
Rv2737c	recA	0.909
Rv2737c	recA	0.909
Rv2996c	serA1	0.907
Rv2996c	serA1	0.907
Rv2996c	serA1	0.907
Rv2555c	alaS	0.902
Rv2555c	alaS	0.902
Rv2555c	alaS	0.902
Rv2964	purU	0.901
Rv0357c	purA	0.901
Rv2964	purU	0.901

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
aspartatePubChem	0.997	133.103
adenosine diphosphatePubChem	0.98	427.201
L-aspartate-beta-semialdehydePubChem	0.974	117.103
beta-aspartyl phosphatePubChem	0.97	213.083
aspartyl phosphatePubChem	0.966	213.083
NADPPubChem	0.956	744.413
L-threoninePubChem	0.952	119.119
L-lysinePubChem	0.95	146.188
phosphatePubChem	0.944	96.9872
oxaloacetatePubChem	0.92	132.072
glutamatePubChem	0.919	147.129
adenosine triphosphatePubChem	0.902	507.181
alpha-ketoglutaratePubChem	0.901	146.098
protiumPubChem	0.9	2.01576
H(+)PubChem	0.9	2.01588
deuteriumPubChem	0.9	2.01588
potassium aspartatePubChem	0.9	133.103
NADP(H)PubChem	0.9	745.421
diaminopimelic acidPubChem	0.888	190.197
meso-diaminopimelatePubChem	0.82	190.197
homoserinePubChem	0.812	119.119
thialysinePubChem	0.776	200.687
magnesiumPubChem	0.775	24.305
acetatePubChem	0.758	59.044
prolyl-glycyl-glycinePubChem	0.75	229.233
selenomethioninePubChem	0.749	196.106
SeMetPubChem	0.749	196.106
sulfatePubChem	0.736	96.0626
hydron sulfatePubChem	0.736	196.157
aspartic semialdehydePubChem	0.729	117.103
L-isoleucinePubChem	0.723	131.173
calciumPubChem	0.708	40.078
citratePubChem	0.707	192.124
hydride acetatePubChem	0.704	61.0599