SInCRe - Rv1625c

Tuberculist information

Gene name	cya
Protein function	Membrane-anchored adenylyl cyclase Cya (ATP pyrophosphate-lyase) (adenylate cyclase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1826.61
Molecular mass(da)	47337.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 443

	  		  	1    VAARKCGAPPIAADGSTRRPDCVTAVRTQARAPTQHYAESVARRQRVLTITAWLAVVVTG   60
			  	61   SFALMQLATGAGGWYIALINVFTAVTFAIVPLLHRFGGLVAPLTFIGTAYVAIFAIGWDV  120
			  	121  GTDAGAQFFFLVAAALVVLLVGIEHTALAVGLAAVAAGLVIALEFLVPPDTGLQPPWAMS  180
			  	181  VSFVLTTVSACGVAVATVWFALRDTARAEAVMEAEHDRSEALLANMLPASIAERLKEPER  240
			  	241  NIIADKYDEASVLFADIVGFTERASSTAPADLVRFLDRLYSAFDELVDQHGLEKIKVSGD  300
			  	301  SYMVVSGVPRPRPDHTQALADFALDMTNVAAQLKDPRGNPVPLRVGLATGPVVAGVVGSR  360
			  	361  RFFYDVWGDAVNVASRMESTDSVGQIQVPDEVYERLKDDFVLRERGHINVKGKGVMRTWY  420
			  	421  LIGRKVAADPGEVRGAEPRTAGV

Known structures in the PDB

	PDB ID	1YK9
	Total residue count	204
	Number of chains	1
	Method	X-RAY
	Resolution	2.7

	PDB ID	4P2F
	Total residue count	273
	Number of chains	1
	Method	X-RAY
	Resolution	2.05

	PDB ID	4P2M
	Total residue count	468
	Number of chains	2
	Method	X-RAY
	Resolution	2.7

	PDB ID	4P2X
	Total residue count	514
	Number of chains	2
	Method	X-RAY
	Resolution	2.4

Number of amino acids : 443

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
Guanylate_cyc	PF00211	242-423

Mtb Structural Proteome models

Model Number	1
Model name	Rv1625c_1yk9_A
Template	1YK9 APDB CREDO
Template coverage	245_428
Template Identity(%)	100.0
Model coverage(%)	41.3
Normalized DOPE score	-0.246

Model Number	2
Model name	Rv1625c.1
Template	1Y10 APDB CREDO
Template coverage	166_376
Template Identity(%)	27.4
Model coverage(%)	49.9
Normalized DOPE score	-0.242

Model Number	3
Model name	Rv1625c
Template	1YK9 APDB CREDO
Template coverage	245_428
Template Identity(%)	98.4
Model coverage(%)	41.3
Normalized DOPE score	-0.13

Structure Models from Chopin

Model Number	1
Profile	d.58.29.1 - 3.30.70.1230 Click for model details
zscore	20.42
Residue begin	235
Residue end	437

Binding pockets

STRING

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

Protein interacting with Rv1625c	Gene name	Confidence Score
Rv1647	Rv1647	0.961
Rv2435c	Rv2435c	0.95
Rv2435c	Rv2435c	0.95
Rv0667	rpoB	0.92
Rv0667	rpoB	0.92
Rv0667	rpoB	0.92
Rv0667	rpoB	0.92
Rv0667	rpoB	0.92
Rv0667	rpoB	0.92

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1625c.1	4	3b0w_DGX_B_1 PDB CREDO	0.633	0.142	0.633	0.001
Rv1625c.1	4	1uwj_BAX_A_1723 PDB CREDO	0.649	0.125	0.631	0.001
Rv1625c.1	4	3bjw_SVR_E_503 PDB CREDO	0.655	0.120	0.603	0.002
Rv1625c.1	4	3b0w_DGX_A_1 PDB CREDO	0.667	0.109	0.594	0.002
Rv1625c.1	4	1z2b_VLB_C_800 PDB CREDO	0.681	0.096	0.589	0.003
Rv1625c.1	5	3g5d_1N1_B_1 PDB CREDO	0.613	0.164	0.589	0.003
Rv1625c.1	4	1uwj_BAX_B_1723 PDB CREDO	0.659	0.116	0.587	0.003
Rv1625c.1	4	3h52_486_B_1 PDB CREDO	0.675	0.101	0.584	0.003
Rv1625c.1	4	2oax_SNL_D_4001 PDB CREDO	0.673	0.103	0.582	0.003
Rv1625c.1	4	2oax_SNL_E_5001 PDB CREDO	0.672	0.104	0.581	0.003
Rv1625c.1	5	3g5d_1N1_A_1 PDB CREDO	0.604	0.174	0.581	0.003
Rv1625c.1	4	2oax_SNL_F_6001 PDB CREDO	0.671	0.105	0.580	0.003
Rv1625c.1	4	3kk6_CEL_B_1701 PDB CREDO	0.613	0.164	0.580	0.003
Rv1625c.1	4	2oax_SNL_A_1001 PDB CREDO	0.669	0.106	0.579	0.003
Rv1625c.1	5	3qlg_1N1_A_601 PDB CREDO	0.601	0.178	0.578	0.003
Rv1625c.1	5	3qlg_1N1_B_601 PDB CREDO	0.601	0.178	0.578	0.003
Rv1625c.1	5	2zva_1N1_A_513 PDB CREDO	0.577	0.207	0.577	0.003
Rv1625c.1	4	1t46_STI_A_3 PDB CREDO	0.640	0.134	0.574	0.003
Rv1625c.1	4	3h52_486_D_2 PDB CREDO	0.683	0.094	0.574	0.003
Rv1625c.1	4	3cs9_NIL_A_600 PDB CREDO	0.590	0.192	0.573	0.003
Rv1625c.1	5	3ti1_B49_A_299 PDB CREDO	0.596	0.184	0.573	0.003
Rv1625c.1	4	2qxs_RAL_A_600 PDB CREDO	0.604	0.174	0.572	0.003
Rv1625c.1	4	2qxs_RAL_B_600 PDB CREDO	0.602	0.176	0.570	0.004
Rv1625c.1	4	3bjw_SVR_F_502 PDB CREDO	0.669	0.106	0.570	0.004
Rv1625c.1	4	3k5v_STI_A_2 PDB CREDO	0.570	0.217	0.570	0.004
Rv1625c.1	4	1opj_STI_A_3 PDB CREDO	0.585	0.198	0.568	0.004
Rv1625c.1	4	1xkk_FMM_A_91 PDB CREDO	0.668	0.108	0.568	0.004
Rv1625c.1	4	2w8y_486_A_1000 PDB CREDO	0.637	0.138	0.567	0.004
Rv1625c.1	4	2xkw_P1B_A_1478 PDB CREDO	0.683	0.095	0.566	0.004
Rv1625c.1	4	3bjw_SVR_B_501 PDB CREDO	0.665	0.110	0.566	0.004
Rv1625c.1	4	1opj_STI_B_4 PDB CREDO	0.581	0.202	0.565	0.004
Rv1625c.1	4	1skx_RFP_A_1 PDB CREDO	0.595	0.184	0.563	0.004
Rv1625c.1	4	3frq_ERY_A_195 PDB CREDO	0.614	0.163	0.563	0.004
Rv1625c.1	4	3bjw_SVR_H_504 PDB CREDO	0.662	0.113	0.563	0.004
Rv1625c.1	4	1uwh_BAX_A_1723 PDB CREDO	0.671	0.105	0.563	0.004
Rv1625c.1	4	2hyy_STI_D_600 PDB CREDO	0.596	0.184	0.563	0.004
Rv1625c.1	4	2hyy_STI_C_600 PDB CREDO	0.595	0.184	0.563	0.004
Rv1625c.1	4	1uwh_BAX_B_1723 PDB CREDO	0.669	0.106	0.562	0.004
Rv1625c.1	4	3pyy_STI_A_3 PDB CREDO	0.595	0.185	0.562	0.004
Rv1625c.1	4	3ms9_STI_A_1 PDB CREDO	0.593	0.187	0.561	0.004
Rv1625c.1	4	3kk6_CEL_A_701 PDB CREDO	0.658	0.116	0.560	0.004
Rv1625c.1	4	3mss_STI_B_1 PDB CREDO	0.593	0.188	0.560	0.004
Rv1625c.1	4	3gvu_STI_A_1001 PDB CREDO	0.593	0.188	0.560	0.004
Rv1625c.1	4	3k5v_STI_B_2 PDB CREDO	0.593	0.188	0.560	0.004
Rv1625c.1	4	3ms9_STI_B_1 PDB CREDO	0.592	0.189	0.559	0.004
Rv1625c.1	4	1y0x_T44_X_500 PDB CREDO	0.666	0.110	0.559	0.004
Rv1625c.1	4	3d91_REM_B_350 PDB CREDO	0.627	0.148	0.559	0.004
Rv1625c.1	4	1iep_STI_A_201 PDB CREDO	0.590	0.191	0.558	0.004
Rv1625c.1	4	3pyy_STI_B_4 PDB CREDO	0.590	0.191	0.558	0.004
Rv1625c.1	4	3cs9_NIL_B_600 PDB CREDO	0.589	0.192	0.558	0.004
Rv1625c.1	4	2hyy_STI_A_600 PDB CREDO	0.590	0.191	0.558	0.004
Rv1625c.1	4	3mss_STI_D_1 PDB CREDO	0.589	0.192	0.557	0.004
Rv1625c.1	4	1iep_STI_B_202 PDB CREDO	0.589	0.193	0.556	0.005
Rv1625c.1	5	2y7j_B49_B_1294 PDB CREDO	0.579	0.205	0.556	0.005
Rv1625c.1	4	3mss_STI_A_1 PDB CREDO	0.588	0.193	0.556	0.005
Rv1625c.1	4	3mss_STI_C_1 PDB CREDO	0.588	0.194	0.556	0.005
Rv1625c.1	4	3sm2_478_A_126 PDB CREDO	0.685	0.092	0.554	0.005
Rv1625c.1	4	3h52_486_A_3 PDB CREDO	0.661	0.114	0.554	0.005
Rv1625c.1	4	2nni_MTK_A_501 PDB CREDO	0.603	0.175	0.554	0.005
Rv1625c.1	4	3d91_REM_A_350 PDB CREDO	0.619	0.157	0.552	0.005
Rv1625c.1	4	3oez_STI_A_601 PDB CREDO	0.583	0.200	0.551	0.005
Rv1625c.1	4	3mno_DEX_A_784 PDB CREDO	0.675	0.101	0.550	0.005
Rv1625c.1	4	3mnp_DEX_A_784 PDB CREDO	0.675	0.101	0.550	0.005
Rv1625c.1	5	3kw2_ADN_B_300 PDB CREDO	0.548	0.246	0.548	0.005
Rv1625c.1	4	3nxu_RIT_A_600 PDB CREDO	0.577	0.208	0.546	0.005
Rv1625c.1	4	2ab2_SNL_A_502 PDB CREDO	0.691	0.088	0.545	0.005
Rv1625c.1	4	2ab2_SNL_B_503 PDB CREDO	0.690	0.088	0.545	0.005
Rv1625c.1	4	3uvv_T3_A_501 PDB CREDO	0.711	0.072	0.543	0.006
Rv1625c.1	4	3nxu_RIT_B_600 PDB CREDO	0.574	0.212	0.543	0.006
Rv1625c.1	4	2v0z_C41_O_1327 PDB CREDO	0.621	0.155	0.542	0.006
Rv1625c.1	5	3kw2_ADN_A_300 PDB CREDO	0.609	0.169	0.542	0.006
Rv1625c.1	4	2oax_SNL_B_2001 PDB CREDO	0.688	0.091	0.542	0.006
Rv1625c.1	4	1a28_STR_B_2 PDB CREDO	0.709	0.074	0.541	0.006
Rv1625c.1	4	2hyy_STI_B_600 PDB CREDO	0.626	0.149	0.541	0.006
Rv1625c.1	4	2oax_SNL_C_3001 PDB CREDO	0.687	0.091	0.541	0.006
Rv1625c.1	4	4asd_BAX_A_1500 PDB CREDO	0.608	0.170	0.541	0.006
Rv1625c.1	4	2oiq_STI_A_1001 PDB CREDO	0.625	0.151	0.540	0.006
Rv1625c.1	4	1sa1_POD_B_700 PDB CREDO	0.605	0.173	0.540	0.006
Rv1625c.1	4	1xzx_T3_X_500 PDB CREDO	0.704	0.078	0.538	0.006
Rv1625c.1	4	3frq_ERY_B_195 PDB CREDO	0.682	0.096	0.538	0.006
Rv1625c.1	4	3vhu_SNL_A_1001 PDB CREDO	0.680	0.097	0.536	0.006
Rv1625c.1	4	2hw2_RFP_A_1200 PDB CREDO	0.680	0.097	0.536	0.006
Rv1625c.1	4	1fm6_BRL_X_504 PDB CREDO	0.701	0.080	0.536	0.006
Rv1625c.1	4	1bsx_T3_A_1 PDB CREDO	0.721	0.066	0.533	0.007
Rv1625c.1	4	1bsx_T3_B_2 PDB CREDO	0.721	0.066	0.533	0.007
Rv1625c.1	4	3gws_T3_X_500 PDB CREDO	0.720	0.066	0.533	0.007
Rv1625c.1	4	3jwq_VIA_D_901 PDB CREDO	0.796	0.026	0.533	0.007
Rv1625c.1	4	3cs9_NIL_C_600 PDB CREDO	0.593	0.187	0.532	0.007
Rv1625c.1	4	3cs9_NIL_D_600 PDB CREDO	0.593	0.188	0.532	0.007
Rv1625c.1	5	2fum_MIX_B_1539 PDB CREDO	0.552	0.241	0.530	0.007
Rv1625c.1	4	1p93_DEX_C_3999 PDB CREDO	0.717	0.069	0.530	0.007
Rv1625c.1	4	1p93_DEX_D_4999 PDB CREDO	0.716	0.069	0.530	0.007
Rv1625c.1	4	1lhv_NOG_A_301 PDB CREDO	0.691	0.088	0.528	0.007
Rv1625c.1	4	3gn8_DEX_A_247 PDB CREDO	0.713	0.071	0.528	0.007
Rv1625c.1	4	3mne_DEX_A_784 PDB CREDO	0.713	0.071	0.527	0.007
Rv1625c.1	4	1sa1_POD_D_701 PDB CREDO	0.608	0.170	0.526	0.007
Rv1625c.1	1	1d4f_ADN_A_601 PDB CREDO	0.547	0.248	0.525	0.007
Rv1625c.1	4	1m2z_DEX_A_301 PDB CREDO	0.710	0.073	0.525	0.007
Rv1625c.1	5	1kij_NOV_B_444 PDB CREDO	0.568	0.220	0.525	0.007
Rv1625c.1	4	3gn8_DEX_B_247 PDB CREDO	0.709	0.074	0.524	0.008
Rv1625c.1	5	3oht_1N1_A_1000 PDB CREDO	0.587	0.195	0.523	0.008
Rv1625c.1	4	1m2z_DEX_D_401 PDB CREDO	0.706	0.076	0.522	0.008
Rv1625c.1	4	2h42_VIA_A_901 PDB CREDO	0.778	0.034	0.521	0.008
Rv1625c.1	4	3vn2_TLS_A_501 PDB CREDO	0.638	0.137	0.519	0.008
Rv1625c.1	4	2aa6_STR_B_402 PDB CREDO	0.725	0.063	0.519	0.008
Rv1625c.1	4	2pl0_STI_A_200 PDB CREDO	0.600	0.179	0.519	0.008
Rv1625c.1	4	2aa6_STR_A_401 PDB CREDO	0.724	0.064	0.518	0.008
Rv1625c.1	4	1uob_PNN_A_1311 PDB CREDO	0.599	0.180	0.518	0.008
Rv1625c.1	4	2aax_PDN_A_502 PDB CREDO	0.722	0.065	0.517	0.008
Rv1625c.1	4	2h79_T3_A_1 PDB CREDO	0.721	0.065	0.516	0.008
Rv1625c.1	4	2aax_PDN_B_503 PDB CREDO	0.721	0.066	0.516	0.009
Rv1625c.1	5	1s9p_DES_C_500 PDB CREDO	0.515	0.295	0.515	0.009
Rv1625c.1	4	3e22_LOC_B_700 PDB CREDO	0.653	0.122	0.515	0.009
Rv1625c.1	4	3ut5_LOC_B_502 PDB CREDO	0.613	0.164	0.514	0.009
Rv1625c.1	4	1nhz_486_A_800 PDB CREDO	0.741	0.053	0.513	0.009
Rv1625c.1	4	2v0z_C41_C_1328 PDB CREDO	0.635	0.140	0.513	0.009
Rv1625c.1	5	1fmo_ADN_E_351 PDB CREDO	0.533	0.268	0.512	0.009
Rv1625c.1	5	1s9p_DES_B_459 PDB CREDO	0.512	0.300	0.512	0.009
Rv1625c.1	4	1qkn_RAL_A_600 PDB CREDO	0.691	0.088	0.511	0.009
Rv1625c.1	4	3e22_LOC_D_700 PDB CREDO	0.648	0.126	0.511	0.009
Rv1625c.1	5	2fum_MIX_C_2539 PDB CREDO	0.511	0.302	0.511	0.009
Rv1625c.1	4	1zgy_BRL_A_503 PDB CREDO	0.736	0.056	0.510	0.009
Rv1625c.1	4	3ln1_CEL_B_682 PDB CREDO	0.688	0.090	0.509	0.009
Rv1625c.1	4	3ln1_CEL_C_682 PDB CREDO	0.688	0.090	0.509	0.009
Rv1625c.1	4	3ln1_CEL_A_682 PDB CREDO	0.687	0.091	0.508	0.010
Rv1625c.1	4	1err_RAL_A_600 PDB CREDO	0.624	0.151	0.508	0.010
Rv1625c.1	4	1err_RAL_B_600 PDB CREDO	0.624	0.152	0.507	0.010
Rv1625c.1	4	2jfa_RAL_B_600 PDB CREDO	0.623	0.152	0.507	0.010
Rv1625c.1	5	2fum_MIX_D_3539 PDB CREDO	0.680	0.097	0.507	0.010
Rv1625c.1	4	2y6o_1N1_A_1892 PDB CREDO	0.663	0.112	0.507	0.010
Rv1625c.1	4	3heg_BAX_A_1 PDB CREDO	0.586	0.197	0.507	0.010
Rv1625c.1	4	3spk_TPV_B_100 PDB CREDO	0.552	0.241	0.507	0.010
Rv1625c.1	4	2h77_T3_A_1 PDB CREDO	0.731	0.059	0.506	0.010
Rv1625c.1	5	2fum_MIX_A_539 PDB CREDO	0.610	0.167	0.505	0.010
Rv1625c.1	4	2aa5_STR_B_302 PDB CREDO	0.705	0.077	0.505	0.010
Rv1625c.1	5	1uay_ADN_A_1001 PDB CREDO	0.680	0.097	0.504	0.010
Rv1625c.1	4	2aa5_STR_A_301 PDB CREDO	0.704	0.078	0.504	0.010
Rv1625c.1	5	3k54_1N1_A_1 PDB CREDO	0.586	0.196	0.503	0.010
Rv1625c.1	16	4dta_ADN_A_401 PDB CREDO	0.638	0.136	0.503	0.010
Rv1625c.1	1	3fuu_ADN_A_0 PDB CREDO	0.544	0.252	0.503	0.010
Rv1625c.1	4	3h0a_9RA_A_500 PDB CREDO	0.751	0.047	0.503	0.010
Rv1625c.1	4	3ut5_LOC_D_502 PDB CREDO	0.635	0.140	0.501	0.011
Rv1625c.1	5	2ity_IRE_A_2020 PDB CREDO	0.500	0.318	0.500	0.011
Rv1625c.1	5	2uxo_TAC_B_1211 PDB CREDO	0.521	0.286	0.500	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.

Target name	CHEMBL ID	SMILES
Adenylyl Cyclase	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c5ccc(Br)cc5
Adenylyl Cyclase	OC(=O)c1cc2C3C(C4C(c2cc1S(=O)(=O)O)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl
Adenylyl Cyclase	CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C

STITCH interactions

Chemical Name	Confidence score	Molecular Weight
magnesiumPubChem	0.92	24.305
adenosine triphosphatePubChem	0.913	507.181
cyclic GMPPubChem	0.911	345.205
pyrophosphatePubChem	0.91	177.975
guanosine triphosphatePubChem	0.904	523.18
nitrosylPubChem	0.9	30.0061
carbon dioxidePubChem	0.814	44.0095