SInCRe - Rv0873

Tuberculist information

Gene name	fadE10
Protein function	Probable acyl-CoA dehydrogenase FadE10
Functional category(tuberculist)	lipid metabolism
Gene location(kb)	970.505
Molecular mass(da)	70744.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 650

	  		  	1    MAQQTQVTEEQARALAEESRESGWDKPSFAKELFLGRFPLGLIHPFPKPSDAEEARTEAF   60
			  	61   LVKLREFLDTVDGSVIERAAQIPDEYVKGLAELGCFGLKIPSEYGGLNMSQVAYNRVLMM  120
			  	121  VTTVHSSLGALLSAHQSIGVPEPLKLAGTAEQKRRFLPRCAAGAISAFLLTEPDVGSDPA  180
			  	181  RMASTATPIDDGQAYELEGVKLWTTNGVVADLLVVMARVPRSEGHRGGISAFVVEADSPG  240
			  	241  ITVERRNKFMGLRGIENGVTRLHRVRVPKDNLIGREGDGLKIALTTLNAGRLSLPAIATG  300
			  	301  VAKQALKIAREWSVERVQWGKPVGQHEAVASKISFIAATNYALDAVVELSSQMADEGRND  360
			  	361  IRIEAALAKLWSSEMACLVGDELLQIRGGRGYETAESLAARGERAVPVEQMVRDLRINRI  420
			  	421  FEGSSEIMRLLIAREAVDAHLTAAGDLANPKADLRQKAAAAAGASGFYAKWLPKLVFGEG  480
			  	481  QLPTTYREFGALATHLRFVERSSRKLARNTFYGMARWQASLEKKQGFLGRIVDIGAELFA  540
			  	541  ISAACVRAEAQRTADPVEGEQAYELAEAFCQQATLRVEALFDALWSNTDSIDVRLANDVL  600
			  	601  EGRYTWLEQGILDQSEGTGPWIASWEPGPSTEANLARRFLTVSPSSEAKL

Known structures in the PDB

No Known structures

Number of amino acids : 650

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	54-164
Acyl-CoA_dh_M	PF02770	167-220
Acyl-CoA_dh_1	PF00441	277-437

Mtb Structural Proteome models

Model Number	1
Model name	Rv0873
Template	2D29 APDB CREDO
Template coverage	6_386
Template Identity(%)	34.6
Model coverage(%)	59.5
Normalized DOPE score	-0.656

Model Number	2
Model name	Rv0873.1
Template	1W07 APDB CREDO
Template coverage	2_659
Template Identity(%)	15.8
Model coverage(%)	93.5
Normalized DOPE score	0.66

Model Number	3
Model name	Rv0873.2
Template	2DDH APDB CREDO
Template coverage	2_655
Template Identity(%)	19.8
Model coverage(%)	92.3
Normalized DOPE score	0.734

Structure Models from Chopin

Model Number	1
Profile	1.10.540.10, 2.40.110.10 Click for model details
zscore	49.43
Residue begin	35
Residue end	443

Model Number	2
Profile	a.29.3.1 Click for model details
zscore	28.63
Residue begin	277
Residue end	437

Model Number	3
Profile	a.29.3.2, e.6.1.2 - 1.20.140.10, 2.40.110.10 Click for model details
zscore	20.49
Residue begin	10
Residue end	650

Model Number	4
Profile	2.40.110.10 Click for model details
zscore	19.04
Residue begin	164
Residue end	289

Model Number	5
Profile	1.10.540.10 Click for model details
zscore	18.12
Residue begin	54
Residue end	164

Model Number	6
Profile	e.6.1.1 Click for model details
zscore	15.17
Residue begin	37
Residue end	280

Model Number	7
Profile	1.10.540.10 Click for model details
zscore	12.43
Residue begin	1
Residue end	174

Model Number	8
Profile	1.20.140.10 Click for model details
zscore	12.1
Residue begin	254
Residue end	472

Model Number	9
Profile	3.30.56.60 Click for model details
zscore	5.22
Residue begin	594
Residue end	649

Binding pockets

STRING

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

Protein interacting with Rv0873	Gene name	Confidence Score
Rv0860	fadB	0.956
Rv0860	fadB	0.956
Rv0860	fadB	0.956
Rv1550	fadD11	0.913
Rv2679	echA15	0.912
Rv0243	fadA2	0.91
Rv0243	fadA2	0.91

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0873.1	2	1c6y_MK1_B_524 PDB CREDO	0.770	0.037	0.643	0.001
Rv0873.1	2	1c6z_ROC_B_505 PDB CREDO	0.653	0.122	0.637	0.001
Rv0873.1	2	1rl8_RIT_A_9001 PDB CREDO	0.636	0.139	0.636	0.001
Rv0873.1	2	2qak_1UN_A_1001 PDB CREDO	0.648	0.127	0.632	0.001
Rv0873.1	2	2pym_1UN_A_1001 PDB CREDO	0.647	0.127	0.631	0.001
Rv0873.1	2	2q64_1UN_B_1001 PDB CREDO	0.647	0.127	0.631	0.001
Rv0873.1	2	2pyn_1UN_A_1001 PDB CREDO	0.646	0.128	0.630	0.001
Rv0873.1	2	2q63_1UN_A_1001 PDB CREDO	0.645	0.129	0.630	0.001
Rv0873.1	2	2f80_017_B_301 PDB CREDO	0.639	0.135	0.624	0.001
Rv0873.1	2	1t7i_017_A_200 PDB CREDO	0.666	0.109	0.619	0.001
Rv0873.1	4	3sm2_478_A_126 PDB CREDO	0.698	0.083	0.618	0.002
Rv0873.1	2	1k6c_MK1_B_902 PDB CREDO	0.662	0.113	0.615	0.002
Rv0873.1	2	3el4_ROC_A_100 PDB CREDO	0.661	0.114	0.615	0.002
Rv0873.1	2	1n49_RIT_B_301 PDB CREDO	0.775	0.035	0.613	0.002
Rv0873.1	2	3el5_1UN_B_201 PDB CREDO	0.642	0.132	0.611	0.002
Rv0873.1	4	2v0z_C41_C_1328 PDB CREDO	0.678	0.099	0.600	0.002
Rv0873.1	2	3ogq_AB1_A_200 PDB CREDO	0.642	0.132	0.596	0.002
Rv0873.1	2	1hxb_ROC_A_100 PDB CREDO	0.607	0.171	0.592	0.002
Rv0873.1	2	3ekq_ROC_A_100 PDB CREDO	0.728	0.061	0.592	0.002
Rv0873.1	2	3bvb_017_B_401 PDB CREDO	0.601	0.177	0.587	0.003
Rv0873.1	2	3ufn_ROC_A_401 PDB CREDO	0.664	0.111	0.585	0.003
Rv0873.1	2	2nnp_ROC_A_401 PDB CREDO	0.628	0.147	0.584	0.003
Rv0873.1	4	2v0z_C41_O_1327 PDB CREDO	0.708	0.074	0.581	0.003
Rv0873.1	2	3pwr_ROC_A_401 PDB CREDO	0.595	0.185	0.580	0.003
Rv0873.1	2	1n49_RIT_D_401 PDB CREDO	0.790	0.029	0.575	0.003
Rv0873.1	2	3ggu_017_B_201 PDB CREDO	0.631	0.143	0.571	0.004
Rv0873.1	2	2nnk_ROC_A_401 PDB CREDO	0.598	0.182	0.569	0.004
Rv0873.1	2	3ndt_ROC_D_100 PDB CREDO	0.596	0.184	0.567	0.004
Rv0873.1	2	3prs_RIT_A_1001 PDB CREDO	0.567	0.221	0.567	0.004
Rv0873.1	4	1xkk_FMM_A_91 PDB CREDO	0.670	0.105	0.564	0.004
Rv0873.1	2	3so9_017_A_100 PDB CREDO	0.872	0.006	0.563	0.004
Rv0873.1	2	3lzv_017_A_200 PDB CREDO	0.728	0.061	0.561	0.004
Rv0873.1	4	1ya4_CTX_A_1 PDB CREDO	0.587	0.195	0.559	0.004
Rv0873.1	2	3ucb_017_A_201 PDB CREDO	0.587	0.195	0.559	0.004
Rv0873.1	2	1hsh_MK1_A_401 PDB CREDO	0.665	0.111	0.555	0.005
Rv0873.1	2	3el0_1UN_A_201 PDB CREDO	0.721	0.065	0.555	0.005
Rv0873.1	2	3el9_DR7_A_100 PDB CREDO	0.664	0.111	0.555	0.005
Rv0873.1	4	3el4_ROC_A_100 PDB CREDO	0.553	0.240	0.553	0.005
Rv0873.1	2	1sh9_RIT_B_301 PDB CREDO	0.661	0.114	0.552	0.005
Rv0873.1	2	1hxw_RIT_B_301 PDB CREDO	0.610	0.168	0.551	0.005
Rv0873.1	2	3sm2_478_A_126 PDB CREDO	0.576	0.209	0.548	0.005
Rv0873.1	2	1hsh_MK1_C_402 PDB CREDO	0.653	0.122	0.545	0.005
Rv0873.1	2	3ekx_1UN_B_201 PDB CREDO	0.587	0.194	0.545	0.005
Rv0873.1	2	3d1y_ROC_A_201 PDB CREDO	0.544	0.252	0.544	0.005
Rv0873.1	2	1ohr_1UN_A_201 PDB CREDO	0.650	0.124	0.543	0.006
Rv0873.1	2	3k4v_ROC_D_201 PDB CREDO	0.596	0.184	0.541	0.006
Rv0873.1	2	3gp0_NIL_A_1 PDB CREDO	0.613	0.164	0.540	0.006
Rv0873.1	2	1xkk_FMM_A_91 PDB CREDO	0.594	0.186	0.537	0.006
Rv0873.1	2	1t46_STI_A_3 PDB CREDO	0.621	0.155	0.533	0.007
Rv0873.1	2	3tkg_ROC_C_901 PDB CREDO	0.600	0.179	0.532	0.007
Rv0873.1	2	3spk_TPV_B_100 PDB CREDO	0.751	0.047	0.531	0.007
Rv0873.1	2	3s56_ROC_A_201 PDB CREDO	0.634	0.140	0.530	0.007
Rv0873.1	4	1t46_STI_A_3 PDB CREDO	0.662	0.113	0.529	0.007
Rv0873.1	4	3kk6_CEL_A_701 PDB CREDO	0.625	0.150	0.526	0.007
Rv0873.1	2	3cyx_ROC_A_201 PDB CREDO	0.606	0.172	0.525	0.007
Rv0873.1	4	2pym_1UN_A_1001 PDB CREDO	0.577	0.207	0.524	0.008
Rv0873.1	2	1sgu_MK1_B_2632 PDB CREDO	0.718	0.068	0.522	0.008
Rv0873.1	4	2q64_1UN_B_1001 PDB CREDO	0.575	0.210	0.522	0.008
Rv0873.1	2	1t7j_478_A_200 PDB CREDO	0.807	0.022	0.522	0.008
Rv0873.1	4	2q63_1UN_A_1001 PDB CREDO	0.574	0.212	0.521	0.008
Rv0873.1	4	2qak_1UN_A_1001 PDB CREDO	0.572	0.214	0.519	0.008
Rv0873.1	2	3ndu_ROC_D_100 PDB CREDO	0.598	0.181	0.519	0.008
Rv0873.1	2	2fxd_DR7_A_102 PDB CREDO	0.621	0.155	0.519	0.008
Rv0873.1	4	2pyn_1UN_A_1001 PDB CREDO	0.571	0.215	0.518	0.008
Rv0873.1	4	3prs_RIT_A_1001 PDB CREDO	0.557	0.234	0.518	0.008
Rv0873.1	4	3ufn_ROC_A_401 PDB CREDO	0.631	0.144	0.517	0.008
Rv0873.1	2	2r5q_1UN_B_900 PDB CREDO	0.731	0.059	0.516	0.009
Rv0873.1	2	2r5q_1UN_D_900 PDB CREDO	0.731	0.059	0.516	0.009
Rv0873.1	2	2nmy_ROC_A_401 PDB CREDO	0.605	0.173	0.513	0.009
Rv0873.1	2	3ogp_017_B_200 PDB CREDO	0.706	0.076	0.513	0.009
Rv0873.1	2	3s43_478_A_401 PDB CREDO	0.512	0.300	0.512	0.009
Rv0873.1	4	1c6z_ROC_B_505 PDB CREDO	0.561	0.229	0.509	0.009
Rv0873.1	2	3ogp_017_A_200 PDB CREDO	0.763	0.041	0.508	0.010
Rv0873.1	2	3jw2_017_A_401 PDB CREDO	0.530	0.273	0.505	0.010
Rv0873.1	4	3h52_486_B_1 PDB CREDO	0.813	0.020	0.504	0.010
Rv0873.1	2	3pww_ROC_A_1001 PDB CREDO	0.587	0.195	0.503	0.010
Rv0873.1	4	2nni_MTK_A_501 PDB CREDO	0.763	0.041	0.502	0.011
Rv0873.1	2	3nuj_478_B_401 PDB CREDO	0.514	0.296	0.502	0.011
Rv0873.1	2	3ekv_478_A_200 PDB CREDO	0.540	0.258	0.501	0.011
Rv0873.1	4	3h52_486_D_2 PDB CREDO	0.833	0.014	0.501	0.011
Rv0873.1	2	4dqf_017_B_101 PDB CREDO	0.539	0.259	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

Chemical Name	Confidence score	Molecular Weight
flavin adenine dinucleotidePubChem	0.922	785.55
palmitoyl-CoAPubChem	0.912	1005.94
trans-2-hexadecenoyl-CoAPubChem	0.909	1003.93
coenzyme APubChem	0.904	767.534
formatePubChem	0.9	45.0174
FADH2PubChem	0.9	787.566
c1137PubChem	0.9	875.672
protiumPubChem	0.9	2.01576
deuteriumPubChem	0.9	2.01588
n-C16:1CoAPubChem	0.9	1003.93
AR-1A9122PubChem	0.9	787.566
adenosine triphosphatePubChem	0.9	507.181
naphthyl-2-methyl-succinyl-CoAPubChem	0.9	1007.79
Co-APubChem	0.9	767.534
5-methylhex-4-enoyl-CoAPubChem	0.9	877.688
palmitoyl CoAPubChem	0.9	1005.94
1,5-dihydro-FADPubChem	0.9	787.566
C16468PubChem	0.9	875.672
hydroxyl radicalsPubChem	0.9	17.0073
NSC112207PubChem	0.9	785.55
adenosine monophosphatePubChem	0.9	347.221
pyrophosphatePubChem	0.9	177.975
H(+)PubChem	0.9	2.01588