SInCRe - Rv0672

Tuberculist information

Gene name	fadE8
Protein function	Probable acyl-CoA dehydrogenase FadE8
Functional category(tuberculist)	lipid metabolism
Gene location(kb)	771.484
Molecular mass(da)	58534.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 542

	  		  	1    MSDTHVVTNQVPPLENYNPASSPVLIEALIQEGGQWGLDEVNEVGAISASCQAQRWGELA   60
			  	61   DRNRPILHTHDAYGYRVDEVEYDPAYHELMRTAITHGMHAAPWADDRPGAHVVRAAKTSV  120
			  	121  WTVEPGHICPISMTYAVVPALRYNSELAAVYEPLLTSREYDPELKPATTKAGITAGMSMT  180
			  	181  EKQGGSDVRAGTTQATPNADGSYSLTGHKWFTSAPMCDIFLVLAQAPDGLSCFLLPRVLP  240
			  	241  DGTRNRMFLQRLKDKLGNHANASSEVEYDGAVAWLVGEEGRGVPTIIEMVNLTRLDCALG  300
			  	301  SATSMRTGLTRAVHHAQHRKAFGAYLIDQPLMRNVLADLAVEAEAATIVAMRMAGATDNA  360
			  	361  VRGNETEALLRRIGLAAAKYWVCKRSTAHAAEALECLGGNGYVEDSGMPRLYREAPLMGI  420
			  	421  WEGSGNVSALDTLRAMATRPACVEVLFDELARSAGQDPRLDGHVERLRPQLGDLDTIGYR  480
			  	481  ARKIAEDICLALQGSLLVRHGHPAVAEAFLATRLGGQWGGAYGTMPAGLDLAPILERALV  540
			  	541  KG

Known structures in the PDB

No Known structures

Number of amino acids : 542

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	176-228
Acyl-CoA_dh_1	PF00441	280-437

Mtb Structural Proteome models

Model Number	1
Model name	Rv0672
Template	1R2J APDB CREDO
Template coverage	3_365
Template Identity(%)	24.4
Model coverage(%)	71.2
Normalized DOPE score	-0.039

Model Number	2
Model name	Rv0672.1
Template	2DDH APDB CREDO
Template coverage	2_557
Template Identity(%)	15.1
Model coverage(%)	95.0
Normalized DOPE score	0.803

Structure Models from Chopin

Model Number	1
Profile	a.29.3.1, e.6.1.1 - 1.10.540.10, 1.20.140.10, 2.40.110.10 Click for model details
zscore	31.6
Residue begin	17
Residue end	445

Model Number	2
Profile	a.29.3.1 Click for model details
zscore	29.84
Residue begin	280
Residue end	437

Model Number	3
Profile	e.6.1.1 Click for model details
zscore	10.78
Residue begin	176
Residue end	228

Model Number	4
Profile	1.20.140.10 Click for model details
zscore	8.66
Residue begin	224
Residue end	453

Binding pockets

STRING

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

Protein interacting with Rv0672	Gene name	Confidence Score
Rv0860	fadB	0.963
Rv0860	fadB	0.963
Rv0860	fadB	0.963
Rv3516	echA19	0.928
Rv3774	echA21	0.918
Rv3039c	echA17	0.904
Rv0166	fadD5	0.902
Rv3373	echA18	0.902
Rv0166	fadD5	0.902
Rv3561	fadD3	0.901
Rv3561	fadD3	0.901
Rv1058	fadD14	0.901
Rv1058	fadD14	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0672.1	4	4dt8_ADN_A_401 PDB CREDO	0.580	0.203	0.555	0.005
Rv0672.1	4	4dta_ADN_A_401 PDB CREDO	0.569	0.218	0.543	0.006
Rv0672.1	4	3miy_B49_B_2 PDB CREDO	0.541	0.256	0.541	0.006
Rv0672.1	4	3miy_B49_A_1 PDB CREDO	0.536	0.264	0.536	0.006
Rv0672.1	4	1xwf_ADN_D_433 PDB CREDO	0.555	0.237	0.530	0.007
Rv0672.1	4	1xwf_ADN_B_433 PDB CREDO	0.550	0.244	0.525	0.007
Rv0672.1	4	1xwf_ADN_A_433 PDB CREDO	0.549	0.246	0.524	0.008
Rv0672.1	30	3bgd_PM6_A_301 PDB CREDO	0.560	0.230	0.517	0.008
Rv0672.1	4	1xwf_ADN_C_433 PDB CREDO	0.537	0.262	0.513	0.009
Rv0672.1	4	1v8b_ADN_A_502 PDB CREDO	0.536	0.264	0.512	0.009
Rv0672.1	4	2x7h_PFN_A_1372 PDB CREDO	0.525	0.280	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
flavin adenine dinucleotidePubChem	0.974	785.55
coenzyme APubChem	0.91	767.534
pyrophosphatePubChem	0.9	177.975
adenosine triphosphatePubChem	0.9	507.181
NSC112207PubChem	0.9	785.55
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