SInCRe - Rv2555c

Tuberculist information

Gene name	alaS
Protein function	Probable alanyl-tRNA synthetase AlaS (alanine--tRNA ligase) (alanine translase) (ALARS)
Functional category(tuberculist)	information pathways
Gene location(kb)	2873.77
Molecular mass(da)	97324.8
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 904

	  		  	1    VQTHEIRKRFLDHFVKAGHTEVPSASVILDDPNLLFVNAGMVQFVPFFLGQRTPPYPTAT   60
			  	61   SIQKCIRTPDIDEVGITTRHNTFFQMAGNFSFGDYFKRGAIELAWALLTNSLAAGGYGLD  120
			  	121  PERIWTTVYFDDDEAVRLWQEVAGLPAERIQRRGMADNYWSMGIPGPCGPSSEIYYDRGP  180
			  	181  EFGPAGGPIVSEDRYLEVWNLVFMQNERGEGTTKEDYQILGPLPRKNIDTGMGVERIALV  240
			  	241  LQDVHNVYETDLLRPVIDTVARVAARAYDVGNHEDDVRYRIIADHSRTAAILIGDGVSPG  300
			  	301  NDGRGYVLRRLLRRVIRSAKLLGIDAAIVGDLMATVRNAMGPSYPELVADFERISRIAVA  360
			  	361  EETAFNRTLASGSRLFEEVASSTKKSGATVLSGSDAFTLHDTYGFPIELTLEMAAETGLQ  420
			  	421  VDEIGFRELMAEQRRRAKADAAARKHAHADLSAYRELVDAGATEFTGFDELRSQARILGI  480
			  	481  FVDGKRVPVVAHGVAGGAGEGQRVELVLDRTPLYAESGGQIADEGTISGTGSSEAARAAV  540
			  	541  TDVQKIAKTLWVHRVNVESGEFVEGDTVIAAVDPGWRRGATQGHSGTHMVHAALRQVLGP  600
			  	601  NAVQAGSLNRPGYLRFDFNWQGPLTDDQRTQVEEVTNEAVQADFEVRTFTEQLDKAKAMG  660
			  	661  AIALFGESYPDEVRVVEMGGPFSLELCGGTHVSNTAQIGPVTILGESSIGSGVRRVEAYV  720
			  	721  GLDSFRHLAKERALMAGLASSLKVPSEEVPARVANLVERLRAAEKELERVRMASARAAAT  780
			  	781  NAAAGAQRIGNVRLVAQRMSGGMTAADLRSLIGDIRGKLGSEPAVVALIAEGESQTVPYA  840
			  	841  VAANPAAQDLGIRANDLVKQLAVAVEGRGGGKADLAQGSGKNPTGIDAALDAVRSEIAVI  900
			  	901  ARVG

Known structures in the PDB

No Known structures

Number of amino acids : 904

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
tRNA-synt_2c	PF01411	5-576
tRNA_SAD	PF07973	673-717
DHHA1	PF02272	823-895

Mtb Structural Proteome models

Model Number	1
Model name	Rv2555c.2
Template	1V4P APDB CREDO
Template coverage	7_148
Template Identity(%)	19.0
Model coverage(%)	15.0
Normalized DOPE score	-0.833

Model Number	2
Model name	Rv2555c
Template	1YFS APDB CREDO
Template coverage	2_453
Template Identity(%)	48.8
Model coverage(%)	51.5
Normalized DOPE score	-0.597

Structure Models from Chopin

Model Number	1
Profile	a.203.1.1 Click for model details
zscore	46.83
Residue begin	248
Residue end	470

Model Number	2
Profile	d.67.1.2 Click for model details
zscore	33.88
Residue begin	572
Residue end	724

Model Number	3
Profile	b.43.3.6, d.67.1.2 Click for model details
zscore	33.87
Residue begin	473
Residue end	721

Model Number	4
Profile	3.30.980.10 Click for model details
zscore	12.02
Residue begin	576
Residue end	670

Model Number	5
Profile	b.43.3.6 Click for model details
zscore	10.69
Residue begin	473
Residue end	572

Model Number	6
Profile	1.20.5.1000 Click for model details
zscore	4.8
Residue begin	720
Residue end	781

Binding pockets

STRING

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

Protein interacting with Rv2555c	Gene name	Confidence Score
Rv1020	mfd	0.982
Rv1020	mfd	0.982
Rv1020	mfd	0.982
Rv1020	mfd	0.982
Rv1536	ileS	0.979
Rv1536	ileS	0.979
Rv3598c	lysS	0.978
Rv3598c	lysS	0.978
Rv2554c	Rv2554c	0.971
Rv2572c	aspS	0.971
Rv2572c	aspS	0.971
Rv2572c	aspS	0.971
Rv0041	leuS	0.969
Rv0041	leuS	0.969
Rv0041	leuS	0.969
Rv2614c	thrS	0.966
Rv2614c	thrS	0.966
Rv2614c	thrS	0.966
Rv3610c	ftsH	0.963
Rv3610c	ftsH	0.963
Rv3610c	ftsH	0.963
Rv2580c	hisS	0.956
Rv2580c	hisS	0.956
Rv2992c	gltS	0.948
Rv2737c	recA	0.948
Rv2737c	recA	0.948
Rv2448c	valS	0.948
Rv2448c	valS	0.948
Rv2448c	valS	0.948
Rv1650	pheT	0.945
Rv1650	pheT	0.945
Rv1650	pheT	0.945
Rv1650	pheT	0.945
Rv3834c	serS	0.943
Rv3834c	serS	0.943
Rv2882c	frr	0.941
Rv1007c	metS	0.941
Rv2678c	hemE	0.934
Rv1630	rpsA	0.933
Rv3458c	rpsD	0.932
Rv3458c	rpsD	0.932
Rv1649	pheS	0.932
Rv1649	pheS	0.932
Rv1292	argS	0.923
Rv1292	argS	0.923
Rv3436c	glmS	0.923
Rv1292	argS	0.923
Rv3436c	glmS	0.923
Rv2553c	Rv2553c	0.921
Rv0350	dnaK	0.921
Rv2150c	ftsZ	0.919
Rv2150c	ftsZ	0.919
Rv0684	fusA1	0.914
Rv0684	fusA1	0.914
Rv0684	fusA1	0.914
Rv0684	fusA1	0.914
Rv0684	fusA1	0.914
Rv1699	pyrG	0.912
Rv1699	pyrG	0.912
Rv2357c	glyS	0.908
Rv3100c	smpB	0.908
Rv2357c	glyS	0.908
Rv2586c	secF	0.907
Rv2586c	secF	0.907
Rv2870c	dxr	0.907
Rv1014c	pth	0.907
Rv2870c	dxr	0.907
Rv2870c	dxr	0.907
Rv1617	pykA	0.904
Rv1617	pykA	0.904
Rv2533c	nusB	0.903
Rv3709c	ask	0.902
Rv3709c	ask	0.902
Rv3709c	ask	0.902
Rv3266c	rmlD	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2555c.2	3	3re0_CPT_B_201 PDB CREDO	0.639	0.135	0.639	0.001
Rv2555c.2	3	3c9j_308_B_101 PDB CREDO	0.653	0.122	0.609	0.002
Rv2555c.2	3	2wd9_IBP_A_1570 PDB CREDO	0.683	0.095	0.599	0.002
Rv2555c.2	3	2wd9_IBP_B_1570 PDB CREDO	0.626	0.150	0.584	0.003
Rv2555c.2	3	3re0_CPT_C_201 PDB CREDO	0.621	0.155	0.579	0.003
Rv2555c.2	3	1e7b_HLT_A_4003 PDB CREDO	0.606	0.172	0.566	0.004
Rv2555c.2	3	1e7b_HLT_B_4003 PDB CREDO	0.596	0.184	0.556	0.005
Rv2555c.2	3	3ri5_RI5_E_351 PDB CREDO	0.566	0.223	0.529	0.007
Rv2555c.2	1	3p4w_DSF_C_320 PDB CREDO	0.525	0.281	0.525	0.007
Rv2555c.2	7	2i2z_SAL_A_1100 PDB CREDO	0.566	0.222	0.524	0.008
Rv2555c.2	3	2xfh_CL6_A_1414 PDB CREDO	0.562	0.228	0.524	0.008
Rv2555c.2	3	3a2q_ACA_A_601 PDB CREDO	0.674	0.102	0.522	0.008
Rv2555c.2	1	3p4w_DSF_A_319 PDB CREDO	0.520	0.288	0.520	0.008
Rv2555c.2	7	3uiv_308_H_1008 PDB CREDO	0.560	0.230	0.519	0.008
Rv2555c.2	3	4dta_ADN_B_401 PDB CREDO	0.547	0.248	0.510	0.009
Rv2555c.2	3	3r9c_ECL_A_451 PDB CREDO	0.862	0.008	0.506	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
L-alaninePubChem	0.97	89.0932
A5APubChem	0.825	417.398
magnesiumPubChem	0.797	24.305
selenomethioninePubChem	0.756	196.106
SeMetPubChem	0.748	196.106
sulfatePubChem	0.745	96.0626
hydron sulfatePubChem	0.743	196.157
AMP-PCPPubChem	0.709	505.208
L-serinePubChem	0.706	105.093
adenosine triphosphatePubChem	0.703	507.181
ATP analogPubChem	0.702	505.208
polyglycinePubChem	0.7	75.0666