Rv3089

Tuberculist information
Gene namefadD13
Protein functionProbable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)
Functional category(tuberculist)lipid metabolism
Gene location(kb)3455.76
Molecular mass(da)54459.5
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 503
	  		  	1    MKNIGWMLRQRATVSPRLQAYVEPSTDVRMTYAQMNALANRCADVLTALGIAKGDRVALL   60
			  	61   MPNSVEFCCLFYGAAKLGAVAVPINTRLAAPEVSFILSDSGSKVVIYGAPSAPVIDAIRA  120
			  	121  QADPPGTVTDWIGADSLAERLRSAAADEPAVECGGDDNLFIMYTSGTTGHPKGVVHTHES  180
			  	181  VHSAASSWASTIDVRYRDRLLLPLPMFHVAALTTVIFSAMRGVTLISMPQFDATKVWSLI  240
			  	241  VEERVCIGGAVPAILNFMRQVPEFAELDAPDFRYFITGGAPMPEALIKIYAAKNIEVVQG  300
			  	301  YALTESCGGGTLLLSEDALRKAGSAGRATMFTDVAVRGDDGVIREHGEGEVVIKSDILLK  360
			  	361  EYWNRPEATRDAFDNGWFRTGDIGEIDDEGYLYIKDRLKDMIISGGENVYPAEIESVIIG  420
			  	421  VPGVSEVAVIGLPDEKWGEIAAAIVVADQNEVSEQQIVEYCGTRLARYKLPKKVIFAEAI  480
			  	481  PRNPTGKILKTVLREQYSATVPK

Known structures in the PDB
PDB ID3R44
Total residue count517
Number of chains1
MethodX-RAY
Resolution1.8
PDB ID3T5B
Total residue count396
Number of chains1
MethodX-RAY
Resolution2.35
PDB ID3T5C
Total residue count792
Number of chains2
MethodX-RAY
Resolution2.09
1 51 101 151 201 251 301 351 401 451 501 Range: 8 to 405  |  Coverage: 78% AMP-binding Range: 413 to 487  |  Coverage: 14% AMP-binding_C Range: 5 to 501  |  Coverage: 98% 1 Range: 1 to 503  |  Coverage: 99% 1 Range: 326 to 397  |  Coverage: 14% 2 Range: 396 to 503  |  Coverage: 21% 3
Number of amino acids : 503
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-bindingPF005018-405
AMP-binding_CPF13193413-487
Mtb Structural Proteome models
Model Number1
Model nameRv3089
Template2D1S    APDBCREDO
Template coverage26_545
Template Identity(%)26.0
Model coverage(%)98.6
Normalized DOPE score-0.468

Structure Models from Chopin
Model Number1
Profilee.23.1.1
Click for model details
zscore64.06
Residue begin1
Residue end503
Model Number2
Profile2.30.38.10
Click for model details
zscore17.78
Residue begin326
Residue end397
Model Number3
Profile3.30.300.30
Click for model details
zscore13.93
Residue begin396
Residue end503
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv3089Gene nameConfidence Score
Rv3087Rv30870.952
Rv3087Rv30870.952
Rv3088tgs40.95
Rv3088tgs40.95
Rv3083Rv30830.936
Rv3086adhD0.917
Rv3086adhD0.917
Rv3082cvirS0.905
Rv3082cvirS0.905
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
Co-APubChem0.944767.534
coenzyme APubChem0.942767.534
adenosine triphosphatePubChem0.909507.181
adenosine monophosphatePubChem0.906347.221
octanoatePubChem0.905144.211
pyrophosphatePubChem0.902177.975
dihydronicotinamide formycin dinucleotidePubChem0.9665.441
octanalPubChem0.9128.212
CO8PubChem0.9893.73
NAD+PubChem0.9663.425
hydroxyl radicalsPubChem0.917.0073
H(+)PubChem0.92.01588
octanoyl-CoAPubChem0.9893.73
deuteriumPubChem0.92.01588
protiumPubChem0.92.01576
reduced nicotinamide adenine dinucleotidePubChem0.9665.441