Rv3506

Tuberculist information
Gene namefadD17
Protein functionFatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)
Functional category(tuberculist)lipid metabolism
Gene location(kb)3924.89
Molecular mass(da)53738.8
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 502
	  		  	1    MTPTHPTVTELLLPLSEIDDRGVYFEDSFTSWRDHIRHGAAIAAALRERLDPARPPHVGV   60
			  	61   LLQNTPFFSATLVAGALSGIVPVGLNPVRRGAALAGDIAKADCQLVLTGSGSAEVPADVE  120
			  	121  HINVDSPEWTDEVAAHRDTEVRFRSADLADLFMLIFTSGTSGDPKAVKCSHRKVAIAGVT  180
			  	181  ITQRFSLGRDDVCYVSMPLFHSNAVLVGWAVAAACQGSMALRRKFSASQFLADVRRYGAT  240
			  	241  YANYVGKPLSYVLATPELPDDADNPLRAVYGNEGVPGDIDRFGRRFGCVVMDGFGSTEGG  300
			  	301  VAITRTLDTPAGALGPLPGGIQIVDPDTGEPCPTGVVGELVNTAGPGGFEGYYNDEAAEA  360
			  	361  ERMAGGVYHSGDLAYRDDAGYAYFAGRLGDWMRVDGENLGTAPIERVLMRYPDATEVAVY  420
			  	421  PVPDPVVGDQVMAALVLAPGTKFDADKFRAFLTEQPDLGHKQWPSYVRVSAGLPRTMTFK  480
			  	481  VIKRQLSAEGVACADPVWPIRR

Known structures in the PDB
No Known structures
1 51 101 151 201 251 301 351 401 451 501 Range: 16 to 395  |  Coverage: 75% AMP-binding Range: 403 to 480  |  Coverage: 15% AMP-binding_C Range: 7 to 502  |  Coverage: 98% 1 Range: 1 to 502  |  Coverage: 99% 1 Range: 313 to 387  |  Coverage: 14% 2
Number of amino acids : 502
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-bindingPF0050116-395
AMP-binding_CPF13193403-480
Mtb Structural Proteome models
Model Number1
Model nameRv3506
Template1PG4    APDBCREDO
Template coverage77_640
Template Identity(%)22.0
Model coverage(%)98.6
Normalized DOPE score0.085

Structure Models from Chopin
Model Number1
Profilee.23.1.1
Click for model details
zscore48.81
Residue begin1
Residue end502
Model Number2
Profile2.30.38.10
Click for model details
zscore18.06
Residue begin313
Residue end387
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv3506Gene nameConfidence Score
Rv3505fadE270.939
Rv3505fadE270.939
Rv1683Rv16830.935
Rv1683Rv16830.935
Rv3504fadE260.926
Rv1206fadD60.926
Rv3504fadE260.926
Rv1206fadD60.926
Rv3504fadE260.926
Rv1750cfadD10.906
Rv1750cfadD10.906
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
  View results in TIBLE page
NameAffinityAssay descriptionDOI
CHEMBL608844Not ActiveInhibition of Mycobacterium tuberculosis FadD17 expressed in Escherichia coli at 100 uMhttp://www.ncbi.nlm.nih.gov/pubmed/18690677
Off-target activity - ligand based from TIBLE
  View results in TIBLE page
Predicted off-targetMethodSummaryFull results
None Noneno_bindLink
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 APubChem0.902767.534
octanoyl-CoAPubChem0.9893.73
(3R)-3-isopropenyl-6-oxoheptanoatePubChem0.9183.224
C11945PubChem0.9917.752
deuteriumPubChem0.92.01588
C0885PubChem0.9917.752
C11946PubChem0.9917.752
reduced nicotinamide adenine dinucleotidePubChem0.9665.441
dihydronicotinamide formycin dinucleotidePubChem0.9665.441
adenosine triphosphatePubChem0.9507.181
pyrophosphatePubChem0.9177.975
3-hydroxypropionyl-CoAPubChem0.9839.597
octanoatePubChem0.9144.211
3-hydroxypropionyl-coenzyme APubChem0.9839.597
c0682PubChem0.9168.233
octanalPubChem0.9128.212
trans-2-methyl-5-isopropylhexa-2,5-dienoic acidPubChem0.9168.233
protiumPubChem0.92.01576
NAD+PubChem0.9663.425
H(+)PubChem0.92.01588
adenosine monophosphatePubChem0.9347.221
hydroxyl radicalsPubChem0.917.0073
Co-APubChem0.9767.534
perillic acidPubChem0.9166.217
CO8PubChem0.9893.73