Rv3561

Tuberculist information
Gene namefadD3
Protein functionProbable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)
Functional category(tuberculist)lipid metabolism
Gene location(kb)4001.64
Molecular mass(da)54076.5
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 507
	  		  	1    LINDLRTVPAALDRLVRQLPDHTALIAEDRRFTSTELRDAVYGAAAALIALGVEPADRVA   60
			  	61   IWSPNTWHWVVACLAIHHAGAAVVPLNTRYTATEATDILDRAGAPVLFAAGLFLGADRAA  120
			  	121  GLDRAALPALRHVVRVPVEADDGTWDEFIATGAGALDAVAARAAAVAPQDVSDILFTSGT  180
			  	181  TGRSKGVLCAHRQSLSASASWAANGKITSDDRYLCINPFFHNFGYKAGILACLQTGATLI  240
			  	241  PHVTFDPLHALRAIERHRITVLPGPPTIYQSLLDHPARKDFDLSSLRFAVTGAATVPVVL  300
			  	301  VERMQSELDIDIVLTAYGLTEANGMGTMCRPEDDAVTVATTCGRPFADFELRIADDGEVL  360
			  	361  LRGPNVMVGYLDDTEATAAAIDADGWLHTGDIGAVDQAGNLRITDRLKDMYICGGFNVYP  420
			  	421  AEVEQVLARMDGVADAAVIGVPDQRLGEVGRAFVVARPGTGLDEASVIAYTREHLANFKT  480
			  	481  PRSVRFVDVLPRNAAGKVSKPQLRELG

Known structures in the PDB
No Known structures
1 51 101 151 201 251 301 351 401 451 501 Range: 12 to 414  |  Coverage: 79% AMP-binding Range: 422 to 497  |  Coverage: 14% AMP-binding_C Range: 6 to 505  |  Coverage: 98% 1 Range: 1 to 507  |  Coverage: 99% 1 Range: 343 to 406  |  Coverage: 12% 2 Range: 405 to 507  |  Coverage: 20% 3
Number of amino acids : 507
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
AMP-bindingPF0050112-414
AMP-binding_CPF13193422-497
Mtb Structural Proteome models
Model Number1
Model nameRv3561
Template1MDB    APDBCREDO
Template coverage25_527
Template Identity(%)26.2
Model coverage(%)98.2
Normalized DOPE score-0.186

Structure Models from Chopin
Model Number1
Profilee.23.1.1
Click for model details
zscore65.94
Residue begin1
Residue end507
Model Number2
Profile2.30.38.10
Click for model details
zscore20.16
Residue begin343
Residue end406
Model Number3
Profile3.30.300.30
Click for model details
zscore10.27
Residue begin405
Residue end507
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv3561Gene nameConfidence Score
Rv3563fadE320.987
Rv3563fadE320.987
Rv3564fadE330.985
Rv3564fadE330.985
Rv3560cfadE300.98
Rv3560cfadE300.98
Rv3560cfadE300.98
Rv0244cfadE50.95
Rv0244cfadE50.95
Rv0244cfadE50.95
Rv0244cfadE50.95
Rv0244cfadE50.95
Rv3562fadE310.947
Rv3562fadE310.947
Rv3562fadE310.947
Rv0231fadE40.93
Rv0231fadE40.93
Rv2724cfadE200.911
Rv0752cfadE90.911
Rv0215cfadE30.911
Rv0752cfadE90.911
Rv2500cfadE190.911
Rv0215cfadE30.911
Rv0752cfadE90.911
Rv2500cfadE190.911
Rv0215cfadE30.911
Rv2500cfadE190.911
Rv2724cfadE200.911
Rv2724cfadE200.911
Rv0975cfadE130.91
Rv0975cfadE130.91
Rv0975cfadE130.91
Rv3543cfadE290.91
Rv3543cfadE290.91
Rv3543cfadE290.91
Rv1933cfadE180.906
Rv1933cfadE180.906
Rv3139fadE240.903
Rv3139fadE240.903
Rv3139fadE240.903
Rv3140fadE230.903
Rv3140fadE230.903
Rv1934cfadE170.902
Rv3274cfadE250.902
Rv1934cfadE170.902
Rv3274cfadE250.902
Rv3274cfadE250.902
Rv1934cfadE170.902
Rv3797fadE350.901
Rv0972cfadE120.901
Rv3797fadE350.901
Rv0972cfadE120.901
Rv0672fadE80.901
Rv0972cfadE120.901
Rv0672fadE80.901
Potential ligand/drug binding sites
No binding sites identified
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 NameConfidence scoreMolecular Weight
coenzyme APubChem0.913767.534
octanoatePubChem0.904144.211
adenosine monophosphatePubChem0.903347.221
Co-APubChem0.901767.534
formatePubChem0.945.0174
reduced nicotinamide adenine dinucleotidePubChem0.9665.441
dihydronicotinamide formycin dinucleotidePubChem0.9665.441
pyrophosphatePubChem0.9177.975
FADH2PubChem0.9787.566
octanalPubChem0.9128.212
protiumPubChem0.92.01576
1,5-dihydro-FADPubChem0.9787.566
NSC112207PubChem0.9785.55
adenosine triphosphatePubChem0.9507.181
NAD+PubChem0.9663.425
H(+)PubChem0.92.01588
hydroxyl radicalsPubChem0.917.0073
octanoyl-CoAPubChem0.9893.73
CO8PubChem0.9893.73
flavin adenine dinucleotidePubChem0.9785.55
deuteriumPubChem0.92.01588
AR-1A9122PubChem0.9787.566