SInCRe - Rv3797

Tuberculist information

Gene name	fadE35
Protein function	Probable acyl-CoA dehydrogenase FadE35
Functional category(tuberculist)	lipid metabolism
Gene location(kb)	4251.08
Molecular mass(da)	65322.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 593

	  		  	1    MPEYDLEAVDKLPFSTPEKAQRYQTENYRGAMGLNWYLTDPTLQFIMAYYLRPDELAFAE   60
			  	61   PHLTRIGELTGGPVTRWAEETDRNPPRLERYDRWGHDISRVVLPESFIQSKRAVIEARQA  120
			  	121  VRDDAARAGVKPSLALFAADYLLNQADIGMACALATGGNMVRSLVTAYAPPDVREFVLGK  180
			  	181  LNSGEWDGEAAQLLTERAGGSDLGALETTATRSGDVWLLNGFKWFASNCAGEAFVVLAKP  240
			  	241  EGAPDSTRGVATFLVLRTRRDGSRNGVRIRRLKDKLGTRSVASGEIEFVDAEAFLLSGEP  300
			  	301  SADAGPSDGKGLTRMMELTNRLRLGTASFALGNARRALVESLCYAGQRRAFGGALIDKPL  360
			  	361  MRRKLAEMVVDVEAALAMVFDGFGAANHRQPRCLPQRIAVPVTKLKTCRLGITVASDAIE  420
			  	421  IHGGNGYIETWPVARLLRDAQVNTIWEGPDNILCLDVRRGIEQTRAHETLLARLRDAVSV  480
			  	481  SDDDDTTRLVSRRIEDLDAAITAWTKLDRQLAEARLFPLAQFMGDVYAGALLTEQAAWER  540
			  	541  ATRGTDRKALVARLYARRYLADQGPLRGIDADCDEALQRFDELVAGAFTAEQT

Known structures in the PDB

No Known structures

Number of amino acids : 593

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_M	PF02770	191-241
Acyl-CoA_dh_1	PF00441	309-462

Mtb Structural Proteome models

Model Number	1
Model name	Rv3797
Template	1UKW APDB CREDO
Template coverage	36_410
Template Identity(%)	28.3
Model coverage(%)	67.6
Normalized DOPE score	-0.097

Model Number	2
Model name	Rv3797.1
Template	2DDH APDB CREDO
Template coverage	2_571
Template Identity(%)	14.0
Model coverage(%)	93.3
Normalized DOPE score	0.701

Structure Models from Chopin

Model Number	1
Profile	a.29.3.1, e.6.1.1 Click for model details
zscore	34.2
Residue begin	37
Residue end	593

Model Number	2
Profile	a.29.3.1 Click for model details
zscore	31.78
Residue begin	309
Residue end	462

Model Number	3
Profile	e.6.1.1 Click for model details
zscore	13.98
Residue begin	32
Residue end	303

Binding pockets

STRING

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

Protein interacting with Rv3797	Gene name	Confidence Score
Rv3516	echA19	0.916
Rv3774	echA21	0.911
Rv0860	fadB	0.909
Rv0860	fadB	0.909
Rv0860	fadB	0.909
Rv0166	fadD5	0.902
Rv1058	fadD14	0.902
Rv1058	fadD14	0.902
Rv0166	fadD5	0.902
Rv3561	fadD3	0.901
Rv3561	fadD3	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3797.1	8	2ydo_ADN_A_400 PDB CREDO	0.555	0.238	0.555	0.005
Rv3797.1	8	1bx4_ADN_A_350 PDB CREDO	0.548	0.247	0.548	0.005
Rv3797.1	8	3mdv_CL6_A_506 PDB CREDO	0.587	0.195	0.536	0.006
Rv3797.1	8	3uq6_ADN_A_401 PDB CREDO	0.614	0.163	0.535	0.006
Rv3797.1	8	3kw2_ADN_B_300 PDB CREDO	0.655	0.120	0.532	0.007
Rv3797.1	8	3uq6_ADN_B_401 PDB CREDO	0.606	0.172	0.529	0.007
Rv3797.1	8	2bxf_DZP_A_2001 PDB CREDO	0.577	0.207	0.528	0.007
Rv3797.1	8	3sxr_1N1_B_2 PDB CREDO	0.624	0.151	0.527	0.007
Rv3797.1	8	2bxf_DZP_B_2001 PDB CREDO	0.573	0.213	0.524	0.008
Rv3797.1	5	3sm2_478_A_126 PDB CREDO	0.785	0.030	0.522	0.008
Rv3797.1	8	3nrr_D16_A_520 PDB CREDO	0.522	0.285	0.522	0.008
Rv3797.1	8	3hbb_TMQ_C_613 PDB CREDO	0.517	0.292	0.517	0.008
Rv3797.1	8	3clb_TMQ_A_611 PDB CREDO	0.516	0.294	0.516	0.009
Rv3797.1	8	3sxr_1N1_A_1 PDB CREDO	0.635	0.140	0.515	0.009
Rv3797.1	8	2itz_IRE_A_2021 PDB CREDO	0.610	0.168	0.515	0.009
Rv3797.1	8	2ceo_T44_A_1395 PDB CREDO	0.513	0.298	0.513	0.009
Rv3797.1	8	2ceo_T44_B_1395 PDB CREDO	0.512	0.300	0.512	0.009
Rv3797.1	5	2v0z_C41_C_1328 PDB CREDO	0.765	0.040	0.509	0.010
Rv3797.1	8	3ads_IMN_B_3 PDB CREDO	0.530	0.272	0.508	0.010
Rv3797.1	8	1ie4_T44_A_128 PDB CREDO	0.575	0.210	0.506	0.010
Rv3797.1	8	2uxo_TAC_B_1211 PDB CREDO	0.596	0.184	0.504	0.010
Rv3797.1	8	1m17_AQ4_A_999 PDB CREDO	0.572	0.214	0.503	0.010
Rv3797.1	8	3g0f_B49_B_9001 PDB CREDO	0.550	0.244	0.502	0.011
Rv3797.1	8	2ity_IRE_A_2020 PDB CREDO	0.616	0.160	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	0.902	785.55
pyrophosphatePubChem	0.9	177.975
adenosine triphosphatePubChem	0.9	507.181
NSC112207PubChem	0.9	785.55
coenzyme APubChem	0.9	767.534
H(+)PubChem	0.9	2.01588
1,5-dihydro-FADPubChem	0.9	787.566
FADH2PubChem	0.9	787.566
hydroxyl radicalsPubChem	0.9	17.0073
adenosine monophosphatePubChem	0.9	347.221
formatePubChem	0.9	45.0174
AR-1A9122PubChem	0.9	787.566
Co-APubChem	0.9	767.534
deuteriumPubChem	0.9	2.01588
protiumPubChem	0.9	2.01576