SInCRe - Rv3276c

Tuberculist information

Gene name	purK
Protein function	Probable phosphoribosylaminoimidazole carboxylase ATPase subunit PurK (air carboxylase) (AIRC)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	3658.64
Molecular mass(da)	45695.1
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 429

	  		  	1    MMAVASSRTPAVTSFIAPLVAMVGGGQLARMTHQAAIALGQNLRVLVTSADDPAAQVTPN   60
			  	61   VVIGSHTDLAALRRVAAGADVLTFDHEHVPNELLEKLVADGVNVAPSPQALVHAQDKLVM  120
			  	121  RQRLAAAGVAVPRYAGIKDPDEIDVFAARVDAPIVVKAVRGGYDGRGVRMARDVADARDF  180
			  	181  ARECLADGVAVLVEERVDLRRELSALVARSPFGQGAAWPVVQTVQRDGTCVLVIAPAPAL  240
			  	241  PDDLATAAQRLALQLADELGVVGVLAVELFETTDGALLVNELAMRPHNSGHWTIDGARTS  300
			  	301  QFEQHLRAVLDYPLGDSDAVVPVTVMANVLGAAQPPAMSVDERLHHLFARMPDARVHLYG  360
			  	361  KAERPGRKVGHINFLGSDVAQLCERAELAAHWLSHGRWTDGWDPHRASDDAVGVPPACGG  420
			  	421  RSDEEERRL

Known structures in the PDB

No Known structures

Number of amino acids : 429

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
ATP-grasp	PF02222	124-297

Mtb Structural Proteome models

Model Number	1
Model name	Rv3276c
Template	1B6R APDB CREDO
Template coverage	4_333
Template Identity(%)	34.0
Model coverage(%)	85.3
Normalized DOPE score	0.673

Model Number	2
Model name	Rv3276c.2
Template	1W96 APDB CREDO
Template coverage	51_566
Template Identity(%)	14.7
Model coverage(%)	97.7
Normalized DOPE score	0.918

Structure Models from Chopin

Model Number	1
Profile	d.142.1.2 Click for model details
zscore	22
Residue begin	67
Residue end	391

Model Number	2
Profile	c.30.1.1 Click for model details
zscore	8.9
Residue begin	7
Residue end	126

Binding pockets

STRING

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

Protein interacting with Rv3276c	Gene name	Confidence Score
Rv3275c	purE	0.999
Rv0809	purM	0.997
Rv0809	purM	0.997
Rv0956	purN	0.995
Rv0957	purH	0.995
Rv0957	purH	0.995
Rv0808	purF	0.995
Rv0808	purF	0.995
Rv0389	purT	0.985
Rv0788	purQ	0.984
Rv0780	purC	0.961
Rv3356c	folD	0.954
Rv3356c	folD	0.954
Rv0777	purB	0.946
Rv0777	purB	0.946
Rv0772	purD	0.936
Rv0772	purD	0.936
Rv0772	purD	0.936
Rv0423c	thiC	0.901
Rv0423c	thiC	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3276c.2	9	4asd_BAX_A_1500 PDB CREDO	0.670	0.106	0.632	0.001
Rv3276c.2	9	3oez_STI_A_601 PDB CREDO	0.613	0.163	0.613	0.002
Rv3276c.2	9	1t46_STI_A_3 PDB CREDO	0.706	0.076	0.599	0.002
Rv3276c.2	9	3ms9_STI_B_1 PDB CREDO	0.598	0.181	0.598	0.002
Rv3276c.2	9	3mss_STI_D_1 PDB CREDO	0.596	0.184	0.596	0.002
Rv3276c.2	9	3pyy_STI_B_4 PDB CREDO	0.596	0.184	0.596	0.002
Rv3276c.2	9	1iep_STI_B_202 PDB CREDO	0.595	0.184	0.595	0.002
Rv3276c.2	9	3ms9_STI_A_1 PDB CREDO	0.595	0.184	0.595	0.002
Rv3276c.2	9	3mss_STI_B_1 PDB CREDO	0.595	0.184	0.595	0.002
Rv3276c.2	9	2hyy_STI_D_600 PDB CREDO	0.595	0.185	0.595	0.002
Rv3276c.2	9	3k5v_STI_B_2 PDB CREDO	0.595	0.185	0.595	0.002
Rv3276c.2	9	2hyy_STI_A_600 PDB CREDO	0.594	0.186	0.594	0.002
Rv3276c.2	9	3gvu_STI_A_1001 PDB CREDO	0.593	0.187	0.593	0.002
Rv3276c.2	9	3pyy_STI_A_3 PDB CREDO	0.593	0.187	0.593	0.002
Rv3276c.2	9	3mss_STI_A_1 PDB CREDO	0.592	0.189	0.592	0.002
Rv3276c.2	9	2hyy_STI_C_600 PDB CREDO	0.590	0.191	0.590	0.003
Rv3276c.2	9	3mss_STI_C_1 PDB CREDO	0.589	0.192	0.589	0.003
Rv3276c.2	9	1iep_STI_A_201 PDB CREDO	0.587	0.195	0.587	0.003
Rv3276c.2	9	1n49_RIT_D_401 PDB CREDO	0.583	0.199	0.583	0.003
Rv3276c.2	9	2hyy_STI_B_600 PDB CREDO	0.634	0.141	0.581	0.003
Rv3276c.2	9	3gcs_BAX_A_401 PDB CREDO	0.615	0.162	0.580	0.003
Rv3276c.2	9	3k5v_STI_A_2 PDB CREDO	0.613	0.164	0.579	0.003
Rv3276c.2	9	3gp0_NIL_A_1 PDB CREDO	0.697	0.083	0.576	0.003
Rv3276c.2	9	1opj_STI_A_3 PDB CREDO	0.622	0.153	0.572	0.003
Rv3276c.2	9	2qxs_RAL_B_600 PDB CREDO	0.638	0.136	0.571	0.004
Rv3276c.2	9	2pl0_STI_A_200 PDB CREDO	0.623	0.153	0.570	0.004
Rv3276c.2	9	3oez_STI_B_601 PDB CREDO	0.683	0.095	0.570	0.004
Rv3276c.2	9	2qxs_RAL_A_600 PDB CREDO	0.636	0.138	0.569	0.004
Rv3276c.2	9	1uwj_BAX_A_1723 PDB CREDO	0.586	0.197	0.569	0.004
Rv3276c.2	9	3heg_BAX_A_1 PDB CREDO	0.621	0.154	0.569	0.004
Rv3276c.2	9	3spk_TPV_B_100 PDB CREDO	0.585	0.197	0.569	0.004
Rv3276c.2	9	1opj_STI_B_4 PDB CREDO	0.618	0.158	0.568	0.004
Rv3276c.2	9	1n49_RIT_B_301 PDB CREDO	0.610	0.168	0.560	0.004
Rv3276c.2	9	1t7j_478_A_200 PDB CREDO	0.630	0.145	0.560	0.004
Rv3276c.2	9	3cs9_NIL_D_600 PDB CREDO	0.660	0.115	0.559	0.004
Rv3276c.2	9	2oiq_STI_A_1001 PDB CREDO	0.611	0.167	0.559	0.004
Rv3276c.2	9	1uwj_BAX_B_1723 PDB CREDO	0.592	0.188	0.559	0.004
Rv3276c.2	9	3lzv_017_A_200 PDB CREDO	0.586	0.196	0.554	0.005
Rv3276c.2	9	3hec_STI_A_1 PDB CREDO	0.661	0.114	0.552	0.005
Rv3276c.2	9	3cs9_NIL_C_600 PDB CREDO	0.648	0.126	0.549	0.005
Rv3276c.2	9	3rgf_BAX_A_465 PDB CREDO	0.565	0.223	0.549	0.005
Rv3276c.2	9	1c6y_MK1_B_524 PDB CREDO	0.631	0.144	0.549	0.005
Rv3276c.2	9	3cs9_NIL_A_600 PDB CREDO	0.597	0.182	0.549	0.005
Rv3276c.2	9	1uwh_BAX_B_1723 PDB CREDO	0.615	0.161	0.547	0.005
Rv3276c.2	9	1uwh_BAX_A_1723 PDB CREDO	0.614	0.163	0.545	0.005
Rv3276c.2	23	2oa1_ADN_B_2005 PDB CREDO	0.573	0.212	0.544	0.006
Rv3276c.2	9	3el9_DR7_A_100 PDB CREDO	0.625	0.151	0.544	0.006
Rv3276c.2	9	1xkk_FMM_A_91 PDB CREDO	0.676	0.101	0.543	0.006
Rv3276c.2	9	3ogp_017_B_200 PDB CREDO	0.538	0.261	0.538	0.006
Rv3276c.2	9	3cs9_NIL_B_600 PDB CREDO	0.598	0.181	0.535	0.006
Rv3276c.2	9	3ogp_017_A_200 PDB CREDO	0.584	0.199	0.535	0.006
Rv3276c.2	9	3so9_017_A_100 PDB CREDO	0.600	0.179	0.533	0.007
Rv3276c.2	9	2y6o_1N1_A_1892 PDB CREDO	0.658	0.116	0.533	0.007
Rv3276c.2	9	3el0_1UN_A_201 PDB CREDO	0.563	0.226	0.532	0.007
Rv3276c.2	23	3ug2_IRE_A_1 PDB CREDO	0.588	0.193	0.532	0.007
Rv3276c.2	9	2fxd_DR7_A_102 PDB CREDO	0.609	0.168	0.530	0.007
Rv3276c.2	9	2jfa_RAL_B_600 PDB CREDO	0.613	0.163	0.528	0.007
Rv3276c.2	9	1err_RAL_A_600 PDB CREDO	0.609	0.169	0.524	0.008
Rv3276c.2	9	1hsh_MK1_A_401 PDB CREDO	0.602	0.177	0.524	0.008
Rv3276c.2	9	3ekq_ROC_A_100 PDB CREDO	0.583	0.199	0.522	0.008
Rv3276c.2	9	1err_RAL_B_600 PDB CREDO	0.603	0.175	0.520	0.008
Rv3276c.2	9	2jfa_RAL_A_600 PDB CREDO	0.623	0.153	0.520	0.008
Rv3276c.2	9	2r5q_1UN_D_900 PDB CREDO	0.534	0.267	0.518	0.008
Rv3276c.2	9	2r5q_1UN_B_900 PDB CREDO	0.532	0.269	0.517	0.008
Rv3276c.2	23	1xbb_STI_A_1 PDB CREDO	0.572	0.214	0.517	0.008
Rv3276c.2	23	3ads_IMN_A_1 PDB CREDO	0.517	0.292	0.517	0.008
Rv3276c.2	9	1sgu_MK1_B_2632 PDB CREDO	0.516	0.293	0.516	0.009
Rv3276c.2	23	1qhy_CLM_A_999 PDB CREDO	0.571	0.216	0.516	0.009
Rv3276c.2	9	3v5w_8PR_A_701 PDB CREDO	0.657	0.117	0.515	0.009
Rv3276c.2	9	3tne_RIT_A_401 PDB CREDO	0.616	0.161	0.514	0.009
Rv3276c.2	23	1sn0_T44_B_602 PDB CREDO	0.511	0.301	0.511	0.009
Rv3276c.2	9	1c6z_ROC_B_505 PDB CREDO	0.685	0.092	0.511	0.009
Rv3276c.2	23	1uay_ADN_A_1001 PDB CREDO	0.652	0.123	0.511	0.009
Rv3276c.2	9	1hsh_MK1_C_402 PDB CREDO	0.585	0.198	0.509	0.010
Rv3276c.2	5	3hy7_097_A_801 PDB CREDO	0.507	0.307	0.507	0.010
Rv3276c.2	5	2jih_097_A_1001 PDB CREDO	0.533	0.268	0.506	0.010
Rv3276c.2	9	3ufn_ROC_A_401 PDB CREDO	0.613	0.164	0.506	0.010
Rv3276c.2	9	3ogq_AB1_A_200 PDB CREDO	0.644	0.131	0.505	0.010
Rv3276c.2	23	3r9c_ECL_A_451 PDB CREDO	0.503	0.313	0.503	0.010
Rv3276c.2	9	3s56_ROC_A_201 PDB CREDO	0.578	0.207	0.503	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
5-aminoimidazole ribonucleotidePubChem	0.979	295.186
N5-CAIRPubChem	0.954	339.196
5-amino-4-imidazolecarboxylic acid ribonucleotidePubChem	0.93	339.196
phosphoribosylaminoimidazolePubChem	0.927	294.178
carbon dioxidePubChem	0.915	44.0095
deuteriumPubChem	0.901	2.01588
H(+)PubChem	0.901	2.01588
protiumPubChem	0.9	2.01576
C15667PubChem	0.9	339.196
sulfatePubChem	0.759	96.0626
hydron sulfatePubChem	0.751	196.157