SInCRe - Rv2841c

Tuberculist information

Gene name	nusA
Protein function	Probable N utilization substance protein A NusA
Functional category(tuberculist)	information pathways
Gene location(kb)	3148.39
Molecular mass(da)	37641.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 347

	  		  	1    MNIDMAALHAIEVDRGISVNELLETIKSALLTAYRHTQGHQTDARIEIDRKTGVVRVIAR   60
			  	61   ETDEAGNLISEWDDTPEGFGRIAATTARQVMLQRFRDAENERTYGEFSTREGEIVAGVIQ  120
			  	121  RDSRANARGLVVVRIGTETKASEGVIPAAEQVPGESYEHGNRLRCYVVGVTRGAREPLIT  180
			  	181  LSRTHPNLVRKLFSLEVPEIADGSVEIVAVAREAGHRSKIAVRSNVAGLNAKGACIGPMG  240
			  	241  QRVRNVMSELSGEKIDIIDYDDDPARFVANALSPAKVVSVSVIDQTARAARVVVPDFQLS  300
			  	301  LAIGKEGQNARLAARLTGWRIDIRGDAPPPPPGQPEPGVSRGMAHDR

Known structures in the PDB

	PDB ID	1K0R
	Total residue count	732
	Number of chains	2
	Method	X-RAY
	Resolution	1.7

	PDB ID	2ASB
	Total residue count	262
	Number of chains	2
	Method	X-RAY
	Resolution	1.5

	PDB ID	2ATW
	Total residue count	526
	Number of chains	4
	Method	X-RAY
	Resolution	2.25

Number of amino acids : 347

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
NusA_N	PF08529	2-102
KH_5	PF13184	214-282

Mtb Structural Proteome models

Model Number	1
Model name	Rv2841c_2asb_A
Template	2ASB APDB CREDO
Template coverage	108_333
Template Identity(%)	100.0
Model coverage(%)	64.8
Normalized DOPE score	-1.323

Model Number	2
Model name	Rv2841c_2atw_A
Template	2ATW APDB CREDO
Template coverage	107_329
Template Identity(%)	100.0
Model coverage(%)	64.0
Normalized DOPE score	-1.273

Model Number	3
Model name	Rv2841c_1k0r_A
Template	1K0R APDB CREDO
Template coverage	0_329
Template Identity(%)	100.0
Model coverage(%)	94.8
Normalized DOPE score	-0.095

Model Number	4
Model name	Rv2841c
Template	1K0R APDB CREDO
Template coverage	1_328
Template Identity(%)	99.7
Model coverage(%)	94.2
Normalized DOPE score	0.075

Structure Models from Chopin

Model Number	1
Profile	b.40.4.5, d.202.1.1, d.52.3.1 - 2.40.50.140, 3.30.1480.10, 3.30.300.20 Click for model details
zscore	60.73
Residue begin	1
Residue end	331

Model Number	2
Profile	d.202.1.1 Click for model details
zscore	20.96
Residue begin	2
Residue end	102

Model Number	3
Profile	d.52.3.1 Click for model details
zscore	4.82
Residue begin	265
Residue end	325

Binding pockets

STRING

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

Protein interacting with Rv2841c	Gene name	Confidence Score
Rv2839c	infB	0.994
Rv2839c	infB	0.994
Rv2839c	infB	0.994
Rv2839c	infB	0.994
Rv2842c	Rv2842c	0.982
Rv2783c	gpsI	0.972
Rv2783c	gpsI	0.972
Rv2783c	gpsI	0.972
Rv2783c	gpsI	0.972
Rv2783c	gpsI	0.972
Rv3100c	smpB	0.959
Rv3457c	rpoA	0.957
Rv3457c	rpoA	0.957
Rv3457c	rpoA	0.957
Rv0707	rpsC	0.949
Rv0707	rpsC	0.949
Rv0683	rpsG	0.939
Rv2838c	rbfA	0.934
Rv2889c	tsf	0.933
Rv2889c	tsf	0.933
Rv0639	nusG	0.931
Rv0639	nusG	0.931
Rv0641	rplA	0.931
Rv0667	rpoB	0.93
Rv0667	rpoB	0.93
Rv0667	rpoB	0.93
Rv0667	rpoB	0.93
Rv0667	rpoB	0.93
Rv0667	rpoB	0.93
Rv2882c	frr	0.93
Rv3458c	rpsD	0.917
Rv3458c	rpsD	0.917
Rv2785c	rpsO	0.917
Rv0721	rpsE	0.915
Rv0721	rpsE	0.915
Rv1630	rpsA	0.912
Rv0704	rplB	0.909
Rv0704	rplB	0.909
Rv2840c	Rv2840c	0.903

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2841c_2asb_A	18	1xkk_FMM_A_91 PDB CREDO	0.673	0.103	0.639	0.001
Rv2841c_2asb_A	18	2q64_1UN_B_1001 PDB CREDO	0.621	0.155	0.606	0.002
Rv2841c_2asb_A	18	2qak_1UN_A_1001 PDB CREDO	0.619	0.157	0.603	0.002
Rv2841c_2asb_A	18	2pym_1UN_A_1001 PDB CREDO	0.618	0.158	0.603	0.002
Rv2841c_2asb_A	18	1t46_STI_A_3 PDB CREDO	0.668	0.107	0.603	0.002
Rv2841c_2asb_A	18	3gp0_NIL_A_1 PDB CREDO	0.650	0.124	0.602	0.002
Rv2841c_2asb_A	18	2q63_1UN_A_1001 PDB CREDO	0.616	0.161	0.600	0.002
Rv2841c_2asb_A	18	2pyn_1UN_A_1001 PDB CREDO	0.612	0.165	0.597	0.002
Rv2841c_2asb_A	18	1c6z_ROC_B_505 PDB CREDO	0.603	0.175	0.589	0.003
Rv2841c_2asb_A	18	3sm2_478_A_126 PDB CREDO	0.583	0.200	0.583	0.003
Rv2841c_2asb_A	18	1rl8_RIT_A_9001 PDB CREDO	0.586	0.196	0.558	0.004
Rv2841c_2asb_A	18	3ogq_AB1_A_200 PDB CREDO	0.553	0.240	0.539	0.006
Rv2841c_2asb_A	18	3spk_TPV_B_100 PDB CREDO	0.726	0.062	0.539	0.006
Rv2841c_2asb_A	18	1k6c_MK1_B_902 PDB CREDO	0.609	0.169	0.539	0.006
Rv2841c_2asb_A	18	1c6y_MK1_B_524 PDB CREDO	0.611	0.166	0.536	0.006
Rv2841c_2asb_A	18	1hxb_ROC_A_100 PDB CREDO	0.549	0.246	0.535	0.006
Rv2841c_2asb_A	18	1hwk_117_B_1 PDB CREDO	0.694	0.085	0.531	0.007
Rv2841c_2asb_A	18	1t7i_017_A_200 PDB CREDO	0.594	0.186	0.526	0.007
Rv2841c_2asb_A	18	3ufn_ROC_A_401 PDB CREDO	0.566	0.222	0.524	0.008
Rv2841c_2asb_A	18	1n49_RIT_B_301 PDB CREDO	0.628	0.147	0.522	0.008
Rv2841c_2asb_A	18	3ggu_017_B_201 PDB CREDO	0.547	0.248	0.520	0.008
Rv2841c_2asb_A	18	3ucb_017_A_201 PDB CREDO	0.572	0.214	0.518	0.008
Rv2841c_2asb_A	18	3el9_DR7_A_100 PDB CREDO	0.590	0.192	0.518	0.008
Rv2841c_2asb_A	18	2f80_017_B_301 PDB CREDO	0.528	0.275	0.515	0.009
Rv2841c_2asb_A	18	2xkw_P1B_A_1478 PDB CREDO	0.528	0.275	0.515	0.009
Rv2841c_2asb_A	18	3pwr_ROC_A_401 PDB CREDO	0.553	0.240	0.514	0.009
Rv2841c_2asb_A	18	1sa1_POD_B_700 PDB CREDO	0.710	0.073	0.512	0.009
Rv2841c_2asb_A	18	3el4_ROC_A_100 PDB CREDO	0.574	0.211	0.508	0.010
Rv2841c_2asb_A	18	1n49_RIT_D_401 PDB CREDO	0.662	0.113	0.506	0.010
Rv2841c_2asb_A	18	3ekq_ROC_A_100 PDB CREDO	0.587	0.195	0.502	0.011

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
sulfatePubChem	0.919	96.0626
hydron sulfatePubChem	0.9	196.157
selenomethioninePubChem	0.702	196.106
SeMetPubChem	0.702	196.106