SInCRe - Rv3569c

Tuberculist information

Gene name	hsaD
Protein function	4,9-DHSA hydrolase
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	4010.2
Molecular mass(da)	31875.4
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 291

	  		  	1    MTATEELTFESTSRFAEVDVDGPLKLHYHEAGVGNDQTVVLLHGGGPGAASWTNFSRNIA   60
			  	61   VLARHFHVLAVDQPGYGHSDKRAEHGQFNRYAAMALKGLFDQLGLGRVPLVGNSLGGGTA  120
			  	121  VRFALDYPARAGRLVLMGPGGLSINLFAPDPTEGVKRLSKFSVAPTRENLEAFLRVMVYD  180
			  	181  KNLITPELVDQRFALASTPESLTATRAMGKSFAGADFEAGMMWREVYRLRQPVLLIWGRE  240
			  	241  DRVNPLDGALVALKTIPRAQLHVFGQCGHWVQVEKFDEFNKLTIEFLGGGR

Known structures in the PDB

	PDB ID	2VF2
	Total residue count	622
	Number of chains	2
	Method	X-RAY
	Resolution	2.35

	PDB ID	2WUD
	Total residue count	582
	Number of chains	2
	Method	X-RAY
	Resolution	2.1

	PDB ID	2WUE
	Total residue count	582
	Number of chains	2
	Method	X-RAY
	Resolution	1.8

	PDB ID	2WUF
	Total residue count	582
	Number of chains	2
	Method	X-RAY
	Resolution	1.9

	PDB ID	2WUG
	Total residue count	582
	Number of chains	2
	Method	X-RAY
	Resolution	1.8

Number of amino acids : 291

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
Abhydrolase_6	PF12697	39-282

Mtb Structural Proteome models

Model Number	1
Model name	Rv3569c_2wug_A
Template	2WUG APDB CREDO
Template coverage	7_289
Template Identity(%)	100.0
Model coverage(%)	96.6
Normalized DOPE score	-2.106

Model Number	2
Model name	Rv3569c
Template	1U2E APDB CREDO
Template coverage	0_282
Template Identity(%)	38.9
Model coverage(%)	96.9
Normalized DOPE score	-1.108

Structure Models from Chopin

Model Number	1
Profile	c.69.1.10 - 3.40.50.1820 Click for model details
zscore	42.17
Residue begin	7
Residue end	291

Binding pockets

STRING

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

Protein interacting with Rv3569c	Gene name	Confidence Score
Rv3568c	hsaC	0.995
Rv3536c	hsaE	0.991
Rv3570c	hsaA	0.986
Rv3570c	hsaA	0.986
Rv3567c	hsaB	0.984
Rv3535c	hsaG	0.942
Rv3535c	hsaG	0.942
Rv3566c	nat	0.916
Rv3566A	Rv3566A	0.902

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3569c_2wug_A	2	1a28_STR_B_2 PDB CREDO	0.665	0.110	0.644	0.001
Rv3569c_2wug_A	2	1p93_DEX_D_4999 PDB CREDO	0.635	0.140	0.635	0.001
Rv3569c_2wug_A	2	1p93_DEX_C_3999 PDB CREDO	0.628	0.147	0.628	0.001
Rv3569c_2wug_A	2	1nhz_486_A_800 PDB CREDO	0.667	0.109	0.624	0.001
Rv3569c_2wug_A	2	3gn8_DEX_B_247 PDB CREDO	0.622	0.153	0.622	0.001
Rv3569c_2wug_A	2	3mne_DEX_A_784 PDB CREDO	0.621	0.154	0.621	0.001
Rv3569c_2wug_A	2	3gn8_DEX_A_247 PDB CREDO	0.620	0.156	0.620	0.001
Rv3569c_2wug_A	2	1m2z_DEX_A_301 PDB CREDO	0.619	0.157	0.619	0.001
Rv3569c_2wug_A	2	2aa6_STR_A_401 PDB CREDO	0.639	0.136	0.618	0.001
Rv3569c_2wug_A	2	2aa6_STR_B_402 PDB CREDO	0.638	0.137	0.617	0.002
Rv3569c_2wug_A	2	2aax_PDN_A_502 PDB CREDO	0.636	0.139	0.615	0.002
Rv3569c_2wug_A	2	2aax_PDN_B_503 PDB CREDO	0.636	0.139	0.615	0.002
Rv3569c_2wug_A	2	1m2z_DEX_D_401 PDB CREDO	0.614	0.163	0.614	0.002
Rv3569c_2wug_A	2	2w8y_486_A_1000 PDB CREDO	0.735	0.057	0.610	0.002
Rv3569c_2wug_A	2	1mx1_THA_C_3 PDB CREDO	0.722	0.065	0.610	0.002
Rv3569c_2wug_A	2	3h52_486_D_2 PDB CREDO	0.688	0.090	0.607	0.002
Rv3569c_2wug_A	2	1fm6_BRL_X_504 PDB CREDO	0.624	0.151	0.604	0.002
Rv3569c_2wug_A	2	3h52_486_A_3 PDB CREDO	0.685	0.092	0.604	0.002
Rv3569c_2wug_A	2	3d90_NOG_A_1001 PDB CREDO	0.643	0.131	0.602	0.002
Rv3569c_2wug_A	2	1p93_DEX_B_2999 PDB CREDO	0.656	0.118	0.594	0.002
Rv3569c_2wug_A	2	2q1v_PDN_A_248 PDB CREDO	0.679	0.098	0.594	0.002
Rv3569c_2wug_A	2	3d90_NOG_B_2001 PDB CREDO	0.634	0.140	0.594	0.002
Rv3569c_2wug_A	2	2h42_VIA_A_901 PDB CREDO	0.655	0.119	0.593	0.002
Rv3569c_2wug_A	2	3h52_486_B_1 PDB CREDO	0.693	0.086	0.592	0.002
Rv3569c_2wug_A	2	3h0a_9RA_A_500 PDB CREDO	0.653	0.121	0.591	0.002
Rv3569c_2wug_A	2	2ab2_SNL_A_502 PDB CREDO	0.626	0.149	0.587	0.003
Rv3569c_2wug_A	2	1sqn_NDR_A_1001 PDB CREDO	0.695	0.084	0.587	0.003
Rv3569c_2wug_A	2	1zgy_BRL_A_503 PDB CREDO	0.627	0.148	0.587	0.003
Rv3569c_2wug_A	2	2aa5_STR_A_301 PDB CREDO	0.606	0.172	0.586	0.003
Rv3569c_2wug_A	2	2ab2_SNL_B_503 PDB CREDO	0.625	0.150	0.586	0.003
Rv3569c_2wug_A	2	1p93_DEX_A_1999 PDB CREDO	0.647	0.127	0.585	0.003
Rv3569c_2wug_A	2	2aa5_STR_B_302 PDB CREDO	0.605	0.173	0.585	0.003
Rv3569c_2wug_A	2	3ln1_CEL_C_682 PDB CREDO	0.585	0.197	0.585	0.003
Rv3569c_2wug_A	2	3ln1_CEL_A_682 PDB CREDO	0.585	0.198	0.585	0.003
Rv3569c_2wug_A	2	3ln1_CEL_B_682 PDB CREDO	0.585	0.198	0.585	0.003
Rv3569c_2wug_A	2	3bbt_FMM_D_91 PDB CREDO	0.645	0.130	0.583	0.003
Rv3569c_2wug_A	2	2oax_SNL_C_3001 PDB CREDO	0.621	0.154	0.583	0.003
Rv3569c_2wug_A	2	1qkn_RAL_A_600 PDB CREDO	0.582	0.201	0.582	0.003
Rv3569c_2wug_A	2	2oax_SNL_B_2001 PDB CREDO	0.618	0.158	0.580	0.003
Rv3569c_2wug_A	2	3mno_DEX_A_784 PDB CREDO	0.638	0.137	0.580	0.003
Rv3569c_2wug_A	2	3mnp_DEX_A_784 PDB CREDO	0.638	0.137	0.580	0.003
Rv3569c_2wug_A	2	1sqn_NDR_B_2001 PDB CREDO	0.687	0.091	0.580	0.003
Rv3569c_2wug_A	2	3vhu_SNL_A_1001 PDB CREDO	0.618	0.158	0.579	0.003
Rv3569c_2wug_A	2	1a28_STR_A_1 PDB CREDO	0.685	0.092	0.579	0.003
Rv3569c_2wug_A	2	1bsx_T3_A_1 PDB CREDO	0.577	0.207	0.577	0.003
Rv3569c_2wug_A	2	1bsx_T3_B_2 PDB CREDO	0.577	0.207	0.577	0.003
Rv3569c_2wug_A	2	1z2b_VLB_C_800 PDB CREDO	0.675	0.101	0.577	0.003
Rv3569c_2wug_A	2	2h42_VIA_C_903 PDB CREDO	0.708	0.075	0.576	0.003
Rv3569c_2wug_A	2	2prg_BRL_B_2 PDB CREDO	0.681	0.096	0.575	0.003
Rv3569c_2wug_A	2	3gws_T3_X_500 PDB CREDO	0.575	0.210	0.575	0.003
Rv3569c_2wug_A	2	1ya3_STR_B_2001 PDB CREDO	0.655	0.119	0.573	0.003
Rv3569c_2wug_A	2	1lhv_NOG_A_301 PDB CREDO	0.591	0.190	0.572	0.003
Rv3569c_2wug_A	2	1mx1_THA_E_5 PDB CREDO	0.729	0.061	0.572	0.003
Rv3569c_2wug_A	2	1ya3_STR_A_1001 PDB CREDO	0.654	0.121	0.572	0.003
Rv3569c_2wug_A	2	1xzx_T3_X_500 PDB CREDO	0.590	0.191	0.571	0.004
Rv3569c_2wug_A	2	3h52_486_C_4 PDB CREDO	0.701	0.080	0.571	0.004
Rv3569c_2wug_A	2	3vn2_TLS_A_501 PDB CREDO	0.627	0.148	0.570	0.004
Rv3569c_2wug_A	2	2hw2_RFP_A_1200 PDB CREDO	0.607	0.171	0.569	0.004
Rv3569c_2wug_A	2	2gqg_1N1_B_502 PDB CREDO	0.587	0.194	0.568	0.004
Rv3569c_2wug_A	2	2oax_SNL_D_4001 PDB CREDO	0.662	0.113	0.566	0.004
Rv3569c_2wug_A	2	2oax_SNL_A_1001 PDB CREDO	0.660	0.114	0.565	0.004
Rv3569c_2wug_A	2	2oax_SNL_E_5001 PDB CREDO	0.660	0.114	0.565	0.004
Rv3569c_2wug_A	2	3uvv_T3_A_501 PDB CREDO	0.583	0.200	0.564	0.004
Rv3569c_2wug_A	2	3jwq_VIA_D_901 PDB CREDO	0.623	0.153	0.564	0.004
Rv3569c_2wug_A	2	2oax_SNL_F_6001 PDB CREDO	0.659	0.116	0.564	0.004
Rv3569c_2wug_A	2	2x9g_LYA_A_1270 PDB CREDO	0.581	0.202	0.563	0.004
Rv3569c_2wug_A	2	1uwh_BAX_B_1723 PDB CREDO	0.634	0.141	0.559	0.004
Rv3569c_2wug_A	2	1uwh_BAX_A_1723 PDB CREDO	0.632	0.142	0.558	0.004
Rv3569c_2wug_A	2	1y0x_T44_X_500 PDB CREDO	0.631	0.143	0.557	0.004
Rv3569c_2wug_A	2	2x2n_X2N_A_1480 PDB CREDO	0.593	0.187	0.557	0.004
Rv3569c_2wug_A	2	2h79_T3_A_1 PDB CREDO	0.573	0.213	0.555	0.005
Rv3569c_2wug_A	2	3d91_REM_A_350 PDB CREDO	0.668	0.108	0.554	0.005
Rv3569c_2wug_A	2	2x2n_X2N_C_1479 PDB CREDO	0.612	0.165	0.554	0.005
Rv3569c_2wug_A	2	3d91_REM_B_350 PDB CREDO	0.666	0.109	0.553	0.005
Rv3569c_2wug_A	2	2x2n_X2N_B_1479 PDB CREDO	0.589	0.193	0.552	0.005
Rv3569c_2wug_A	2	3ln1_CEL_D_682 PDB CREDO	0.609	0.168	0.551	0.005
Rv3569c_2wug_A	2	2jfa_RAL_B_600 PDB CREDO	0.606	0.172	0.550	0.005
Rv3569c_2wug_A	2	1err_RAL_A_600 PDB CREDO	0.603	0.176	0.548	0.005
Rv3569c_2wug_A	2	1err_RAL_B_600 PDB CREDO	0.602	0.176	0.548	0.005
Rv3569c_2wug_A	2	2h42_VIA_B_902 PDB CREDO	0.671	0.105	0.546	0.005
Rv3569c_2wug_A	2	1gs4_ZK5_A_1918 PDB CREDO	0.669	0.106	0.545	0.005
Rv3569c_2wug_A	2	3b0w_DGX_A_1 PDB CREDO	0.656	0.118	0.545	0.005
Rv3569c_2wug_A	2	2jfa_RAL_A_600 PDB CREDO	0.581	0.203	0.545	0.005
Rv3569c_2wug_A	2	2h77_T3_A_1 PDB CREDO	0.581	0.202	0.544	0.006
Rv3569c_2wug_A	2	1fm6_BRL_D_503 PDB CREDO	0.636	0.139	0.537	0.006
Rv3569c_2wug_A	2	2prg_BRL_A_1 PDB CREDO	0.634	0.141	0.535	0.006
Rv3569c_2wug_A	2	1s9p_DES_A_459 PDB CREDO	0.632	0.143	0.534	0.007
Rv3569c_2wug_A	2	2x9g_LYA_B_1270 PDB CREDO	0.570	0.217	0.534	0.007
Rv3569c_2wug_A	2	1ya3_STR_C_3001 PDB CREDO	0.676	0.100	0.531	0.007
Rv3569c_2wug_A	2	1mx1_THA_D_4 PDB CREDO	0.785	0.031	0.529	0.007
Rv3569c_2wug_A	2	3bbt_FMM_B_91 PDB CREDO	0.726	0.062	0.529	0.007
Rv3569c_2wug_A	2	1uwj_BAX_B_1723 PDB CREDO	0.636	0.138	0.528	0.007
Rv3569c_2wug_A	2	3erd_DES_A_600 PDB CREDO	0.642	0.132	0.523	0.008
Rv3569c_2wug_A	2	2pl0_STI_A_200 PDB CREDO	0.610	0.167	0.522	0.008
Rv3569c_2wug_A	2	3spk_TPV_A_100 PDB CREDO	0.557	0.234	0.521	0.008
Rv3569c_2wug_A	2	3b0w_DGX_B_1 PDB CREDO	0.704	0.077	0.521	0.008
Rv3569c_2wug_A	2	3ads_IMN_A_2 PDB CREDO	0.596	0.184	0.521	0.008
Rv3569c_2wug_A	2	3qt0_486_A_4 PDB CREDO	0.576	0.209	0.521	0.008
Rv3569c_2wug_A	2	2oiq_STI_A_1001 PDB CREDO	0.609	0.169	0.521	0.008
Rv3569c_2wug_A	2	2gqg_1N1_A_501 PDB CREDO	0.638	0.137	0.519	0.008
Rv3569c_2wug_A	2	2fum_MIX_D_3539 PDB CREDO	0.572	0.215	0.517	0.008
Rv3569c_2wug_A	2	1mx1_THA_F_6 PDB CREDO	0.765	0.040	0.516	0.009
Rv3569c_2wug_A	2	1s9p_DES_D_600 PDB CREDO	0.611	0.166	0.516	0.009
Rv3569c_2wug_A	2	3jwq_VIA_B_901 PDB CREDO	0.632	0.143	0.515	0.009
Rv3569c_2wug_A	2	3oct_1N1_A_663 PDB CREDO	0.587	0.195	0.513	0.009
Rv3569c_2wug_A	2	3rif_IVM_D_402 PDB CREDO	0.630	0.145	0.513	0.009
Rv3569c_2wug_A	2	3rif_IVM_A_402 PDB CREDO	0.629	0.146	0.512	0.009
Rv3569c_2wug_A	2	3ri5_IVM_C_350 PDB CREDO	0.629	0.146	0.512	0.009
Rv3569c_2wug_A	2	3ria_IVM_C_349 PDB CREDO	0.627	0.149	0.510	0.009
Rv3569c_2wug_A	2	3rif_IVM_B_403 PDB CREDO	0.626	0.149	0.510	0.009
Rv3569c_2wug_A	2	1lhu_EST_A_301 PDB CREDO	0.602	0.176	0.508	0.010
Rv3569c_2wug_A	3	3bjw_SVR_B_512 PDB CREDO	0.546	0.250	0.504	0.010
Rv3569c_2wug_A	4	3pbq_IM2_A_999 PDB CREDO	0.578	0.206	0.504	0.010
Rv3569c_2wug_A	2	2w8y_NDR_B_1000 PDB CREDO	0.747	0.049	0.504	0.010
Rv3569c_2wug_A	2	3tne_RIT_A_401 PDB CREDO	0.537	0.263	0.503	0.010
Rv3569c_2wug_A	2	3nrr_D16_B_520 PDB CREDO	0.576	0.209	0.503	0.010
Rv3569c_2wug_A	2	4a79_P1B_B_601 PDB CREDO	0.618	0.158	0.503	0.010
Rv3569c_2wug_A	2	3cs9_NIL_A_600 PDB CREDO	0.700	0.081	0.503	0.010
Rv3569c_2wug_A	2	1uwj_BAX_A_1723 PDB CREDO	0.661	0.114	0.503	0.010
Rv3569c_2wug_A	2	3aod_RFP_C_2002 PDB CREDO	0.640	0.134	0.503	0.010
Rv3569c_2wug_A	4	3u9f_CLM_S_221 PDB CREDO	0.503	0.314	0.503	0.010
Rv3569c_2wug_A	2	3frq_ERY_B_195 PDB CREDO	0.536	0.264	0.502	0.011
Rv3569c_2wug_A	2	2fum_MIX_A_539 PDB CREDO	0.617	0.159	0.502	0.011
Rv3569c_2wug_A	2	3rif_IVM_A_403 PDB CREDO	0.615	0.162	0.501	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
(E)-2,6-dioxo-6-phenyl-hex-3-enoatePubChem	0.987	218.205
glycerolPubChem	0.945	92.0938
2-hydroxypenta-2,4-dienoatePubChem	0.939	114.099
succinatePubChem	0.934	118.088
sulfatePubChem	0.927	96.0626
hydron sulfatePubChem	0.927	196.157
KEKPubChem	0.9	294.73
fumaratePubChem	0.9	116.072
thiocyanatePubChem	0.9	59.0903