SInCRe - Rv3570c

Tuberculist information

Gene name	hsaA
Protein function	Possible oxidoreductase. Possible 3-hydroxy-9,10-seconandrost-1,3,5(10)-triene-9,17-dione hydroxylase.
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	4011.09
Molecular mass(da)	43110.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 394

	  		  	1    VTSIQQRDAQSVLAAIDNLLPEIRDRAQATEDLRRLPDETVKALDDVGFFTLLQPQQWGG   60
			  	61   LQCDPALFFEATRRLASVCGSTGWVSSIVGVHNWHLALFDQRAQEEVWGEDPSTRISSSY  120
			  	121  APMGAGVVVDGGYLVNGSWNWSSGCDHASWTFVGGPVIKDGRPVDFGSFLIPRSEYEIKD  180
			  	181  VWYVVGLRGTGSNTLVVKDVFVPRHRFLSYKAMNDHTAGGLATNSAPVYKMPWGTMHPTT  240
			  	241  ISAPIVGMAYGAYAAHVEHQGKRVRAAFAGEKAKDDPFAKVRIAEAASDIDAAWRQLIGN  300
			  	301  VSDEYALLAAGKEIPFELRARARRDQVRATGRSIASIDRLFEASGATALSNEAPIQRFWR  360
			  	361  DAHAGRVHAANDPERAYVIFGNHEFGLPPGDTMV

Known structures in the PDB

	PDB ID	3AFE
	Total residue count	1576
	Number of chains	4
	Method	X-RAY
	Resolution	2.5

	PDB ID	3AFF
	Total residue count	788
	Number of chains	2
	Method	X-RAY
	Resolution	2

Number of amino acids : 394

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
Acyl-CoA_dh_N	PF02771	5-108
Acyl-CoA_dh_2	PF08028	239-373

Mtb Structural Proteome models

Model Number	1
Model name	Rv3570c_3aff_A
Template	3AFF APDB CREDO
Template coverage	7_394
Template Identity(%)	100.0
Model coverage(%)	98.2
Normalized DOPE score	-2.035

Model Number	2
Model name	Rv3570c
Template	1JQI APDB CREDO
Template coverage	7_383
Template Identity(%)	17.8
Model coverage(%)	97.2
Normalized DOPE score	0.226

Structure Models from Chopin

Model Number	1
Profile	1.10.540.10, 1.20.140.10, 2.40.110.10 Click for model details
zscore	44.66
Residue begin	1
Residue end	394

Model Number	2
Profile	1.20.140.10 Click for model details
zscore	17.35
Residue begin	239
Residue end	373

Model Number	3
Profile	1.20.140.10 Click for model details
zscore	12.22
Residue begin	189
Residue end	394

Model Number	4
Profile	1.10.540.10 Click for model details
zscore	11.99
Residue begin	5
Residue end	108

Binding pockets

STRING

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

Protein interacting with Rv3570c	Gene name	Confidence Score
Rv3568c	hsaC	0.989
Rv3567c	hsaB	0.986
Rv3569c	hsaD	0.986
Rv3571	kshB	0.974
Rv3571	kshB	0.974
Rv3571	kshB	0.974
Rv3566A	Rv3566A	0.901
Rv3566c	nat	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3570c_3aff_A	19	3bjw_SVR_E_503 PDB CREDO	0.657	0.118	0.622	0.001
Rv3570c_3aff_A	19	1uwj_BAX_A_1723 PDB CREDO	0.655	0.120	0.619	0.001
Rv3570c_3aff_A	19	3frq_ERY_A_195 PDB CREDO	0.691	0.088	0.616	0.002
Rv3570c_3aff_A	19	3bjw_SVR_H_504 PDB CREDO	0.678	0.099	0.593	0.002
Rv3570c_3aff_A	19	3bjw_SVR_B_501 PDB CREDO	0.677	0.100	0.592	0.002
Rv3570c_3aff_A	19	3d91_REM_B_350 PDB CREDO	0.683	0.095	0.592	0.002
Rv3570c_3aff_A	19	3d91_REM_A_350 PDB CREDO	0.681	0.096	0.591	0.002
Rv3570c_3aff_A	19	3bjw_SVR_F_502 PDB CREDO	0.674	0.102	0.590	0.003
Rv3570c_3aff_A	19	3kk6_CEL_A_701 PDB CREDO	0.669	0.106	0.586	0.003
Rv3570c_3aff_A	19	2v0z_C41_O_1327 PDB CREDO	0.651	0.123	0.585	0.003
Rv3570c_3aff_A	19	1z2b_VLB_C_800 PDB CREDO	0.689	0.089	0.580	0.003
Rv3570c_3aff_A	19	3b0w_DGX_B_1 PDB CREDO	0.592	0.189	0.576	0.003
Rv3570c_3aff_A	19	3kk6_CEL_B_1701 PDB CREDO	0.589	0.192	0.573	0.003
Rv3570c_3aff_A	19	3frq_ERY_B_195 PDB CREDO	0.742	0.053	0.569	0.004
Rv3570c_3aff_A	19	1uwj_BAX_B_1723 PDB CREDO	0.655	0.119	0.568	0.004
Rv3570c_3aff_A	19	2v0z_C41_C_1328 PDB CREDO	0.674	0.103	0.560	0.004
Rv3570c_3aff_A	19	3b0w_DGX_A_1 PDB CREDO	0.642	0.133	0.556	0.005
Rv3570c_3aff_A	19	1t46_STI_A_3 PDB CREDO	0.601	0.178	0.554	0.005
Rv3570c_3aff_A	19	1uwh_BAX_B_1723 PDB CREDO	0.676	0.101	0.551	0.005
Rv3570c_3aff_A	19	1uwh_BAX_A_1723 PDB CREDO	0.675	0.102	0.551	0.005
Rv3570c_3aff_A	19	2nni_MTK_A_501 PDB CREDO	0.615	0.162	0.549	0.005
Rv3570c_3aff_A	19	1xkk_FMM_A_91 PDB CREDO	0.626	0.149	0.548	0.005
Rv3570c_3aff_A	19	3h52_486_B_1 PDB CREDO	0.650	0.124	0.547	0.005
Rv3570c_3aff_A	19	2oax_SNL_E_5001 PDB CREDO	0.647	0.127	0.545	0.005
Rv3570c_3aff_A	19	2xkw_P1B_A_1478 PDB CREDO	0.637	0.137	0.544	0.006
Rv3570c_3aff_A	19	2oax_SNL_F_6001 PDB CREDO	0.642	0.132	0.540	0.006
Rv3570c_3aff_A	19	3h52_486_D_2 PDB CREDO	0.662	0.113	0.540	0.006
Rv3570c_3aff_A	19	2oax_SNL_D_4001 PDB CREDO	0.640	0.134	0.538	0.006
Rv3570c_3aff_A	19	2oax_SNL_A_1001 PDB CREDO	0.637	0.137	0.536	0.006
Rv3570c_3aff_A	19	3mnp_DEX_A_784 PDB CREDO	0.676	0.100	0.535	0.006
Rv3570c_3aff_A	19	1skx_RFP_A_1 PDB CREDO	0.547	0.248	0.532	0.007
Rv3570c_3aff_A	3	3hec_STI_A_1 PDB CREDO	0.564	0.224	0.531	0.007
Rv3570c_3aff_A	19	3mno_DEX_A_784 PDB CREDO	0.669	0.107	0.529	0.007
Rv3570c_3aff_A	19	3sm2_478_A_126 PDB CREDO	0.635	0.139	0.528	0.007
Rv3570c_3aff_A	19	2ab2_SNL_B_503 PDB CREDO	0.686	0.092	0.526	0.007
Rv3570c_3aff_A	19	2ab2_SNL_A_502 PDB CREDO	0.685	0.093	0.525	0.007
Rv3570c_3aff_A	19	2oax_SNL_B_2001 PDB CREDO	0.680	0.097	0.522	0.008
Rv3570c_3aff_A	19	3vhu_SNL_A_1001 PDB CREDO	0.678	0.099	0.520	0.008
Rv3570c_3aff_A	19	1lhv_NOG_A_301 PDB CREDO	0.696	0.084	0.517	0.008
Rv3570c_3aff_A	19	3vn2_TLS_A_501 PDB CREDO	0.652	0.122	0.516	0.009
Rv3570c_3aff_A	3	4asd_BAX_A_1500 PDB CREDO	0.548	0.246	0.516	0.009
Rv3570c_3aff_A	19	2oax_SNL_C_3001 PDB CREDO	0.672	0.104	0.516	0.009
Rv3570c_3aff_A	19	3nxu_RIT_B_600 PDB CREDO	0.530	0.273	0.515	0.009
Rv3570c_3aff_A	19	3nxu_RIT_A_600 PDB CREDO	0.527	0.277	0.513	0.009
Rv3570c_3aff_A	3	3gcs_BAX_A_401 PDB CREDO	0.545	0.252	0.513	0.009
Rv3570c_3aff_A	19	3mne_DEX_A_784 PDB CREDO	0.710	0.073	0.511	0.009
Rv3570c_3aff_A	19	3ut5_LOC_D_502 PDB CREDO	0.666	0.110	0.511	0.009
Rv3570c_3aff_A	19	1sa1_POD_B_700 PDB CREDO	0.588	0.193	0.510	0.009
Rv3570c_3aff_A	19	1hwk_117_B_1 PDB CREDO	0.554	0.238	0.510	0.009
Rv3570c_3aff_A	19	1fm6_BRL_X_504 PDB CREDO	0.684	0.093	0.508	0.010
Rv3570c_3aff_A	19	3pww_ROC_A_1001 PDB CREDO	0.551	0.243	0.508	0.010
Rv3570c_3aff_A	19	3gn8_DEX_A_247 PDB CREDO	0.705	0.077	0.508	0.010
Rv3570c_3aff_A	19	1p93_DEX_D_4999 PDB CREDO	0.705	0.077	0.507	0.010
Rv3570c_3aff_A	19	1m2z_DEX_A_301 PDB CREDO	0.704	0.077	0.507	0.010
Rv3570c_3aff_A	19	1p93_DEX_C_3999 PDB CREDO	0.704	0.077	0.507	0.010
Rv3570c_3aff_A	19	1m2z_DEX_D_401 PDB CREDO	0.704	0.078	0.506	0.010
Rv3570c_3aff_A	19	2aa5_STR_A_301 PDB CREDO	0.726	0.062	0.505	0.010
Rv3570c_3aff_A	19	2hw2_RFP_A_1200 PDB CREDO	0.659	0.116	0.505	0.010
Rv3570c_3aff_A	3	3oez_STI_B_601 PDB CREDO	0.535	0.265	0.503	0.010
Rv3570c_3aff_A	19	3tkd_CYZ_B_267 PDB CREDO	0.616	0.161	0.503	0.010
Rv3570c_3aff_A	19	3ut5_LOC_B_502 PDB CREDO	0.616	0.161	0.503	0.010
Rv3570c_3aff_A	19	2aa5_STR_B_302 PDB CREDO	0.721	0.065	0.502	0.011
Rv3570c_3aff_A	19	3gn8_DEX_B_247 PDB CREDO	0.698	0.082	0.502	0.011
Rv3570c_3aff_A	19	1sa1_POD_D_701 PDB CREDO	0.595	0.185	0.500	0.011
Rv3570c_3aff_A	3	2hyy_STI_B_600 PDB CREDO	0.516	0.294	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.

Data not available

STITCH interactions

No high confidence interactions