SInCRe - Rv0905

Tuberculist information

Gene name	echA6
Protein function	Possible enoyl-CoA hydratase EchA6 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase)
Functional category(tuberculist)	lipid metabolism
Gene location(kb)	1008.21
Molecular mass(da)	26028.8
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 243

	  		  	1    MIGITQAEAVLTIELQRPERRNALNSQLVEELTQAIRKAGDGSARAIVLTGQGTAFCAGA   60
			  	61   DLSGDAFAADYPDRLIELHKAMDASPMPVVGAINGPAIGAGLQLAMQCDLRVVAPDAFFQ  120
			  	121  FPTSKYGLALDNWSIRRLSSLVGHGRARAMLLSAEKLTAEIALHTGMANRIGTLADAQAW  180
			  	181  AAEIARLAPLAIQHAKRVLNDDGAIEEAWPAHKELFDKAWGSQDVIEAQVARMEKRPPKF  240
			  	241  QGA

Known structures in the PDB

	PDB ID	3HE2
	Total residue count	792
	Number of chains	3
	Method	X-RAY
	Resolution	2.3

Number of amino acids : 243

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
ECH	PF00378	4-235

Mtb Structural Proteome models

Model Number	1
Model name	Rv0905_3he2_A
Template	3HE2 APDB CREDO
Template coverage	1_243
Template Identity(%)	100.0
Model coverage(%)	99.6
Normalized DOPE score	-0.936

Model Number	2
Model name	Rv0905
Template	1UIY APDB CREDO
Template coverage	1_253
Template Identity(%)	33.3
Model coverage(%)	98.4
Normalized DOPE score	-0.226

Structure Models from Chopin

Model Number	1
Profile	c.14.1.3 - 3.90.226.10 Click for model details
zscore	37.52
Residue begin	1
Residue end	243

Model Number	2
Profile	1.10.12.10 Click for model details
zscore	12.74
Residue begin	186
Residue end	243

Binding pockets

STRING

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

Protein interacting with Rv0905	Gene name	Confidence Score
Rv0468	fadB2	0.971
Rv0468	fadB2	0.971
Rv1715	fadB3	0.949
Rv1715	fadB3	0.949
Rv0860	fadB	0.937
Rv0860	fadB	0.937
Rv0860	fadB	0.937
Rv0244c	fadE5	0.936
Rv0244c	fadE5	0.936
Rv0244c	fadE5	0.936
Rv0244c	fadE5	0.936
Rv0244c	fadE5	0.936
Rv1550	fadD11	0.934
Rv3274c	fadE25	0.932
Rv3274c	fadE25	0.932
Rv3274c	fadE25	0.932
Rv2502c	accD1	0.914
Rv3139	fadE24	0.911
Rv3139	fadE24	0.911
Rv3139	fadE24	0.911
Rv1467c	fadE15	0.909
Rv1467c	fadE15	0.909
Rv1467c	fadE15	0.909
Rv1467c	fadE15	0.909
Rv1467c	fadE15	0.909
Rv0400c	fadE7	0.905
Rv0400c	fadE7	0.905
Rv3761c	fadE36	0.905
Rv0400c	fadE7	0.905

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 Name	Confidence score	Molecular Weight
crotonyl-CoAPubChem	0.905	835.608
3-hydroxybutyryl-CoAPubChem	0.902	853.623
C05268PubChem	0.9	881.677
C05258PubChem	0.9	1021.94
C0885PubChem	0.9	917.752
triethylene glycolPubChem	0.9	150.173
C16469PubChem	0.9	893.687
H(+)PubChem	0.9	2.01588
c0887PubChem	0.9	935.767
1,5-dihydro-FADPubChem	0.9	787.566
C11947PubChem	0.9	935.767
c1138PubChem	0.9	893.687
3-hydroxyhexadecanoyl-CoAPubChem	0.9	1021.94
2-methylacetoacetyl-CoAPubChem	0.9	865.634
acryloyl-CoAPubChem	0.9	821.581
C05271PubChem	0.9	863.661
2MCPubChem	0.9	835.608
C14145PubChem	0.9	911.659
C05262PubChem	0.9	965.836
3-hydroxyadipyl-CoAPubChem	0.9	911.659
FADH2PubChem	0.9	787.566
C05273PubChem	0.9	975.874
reduced nicotinamide adenine dinucleotidePubChem	0.9	665.441
C11946PubChem	0.9	917.752
alpha-methylbutyryl-CoAPubChem	0.9	851.651
C05266PubChem	0.9	909.73
C04405PubChem	0.9	867.65
C03221PubChem	0.9	947.821
methylcrotonyl CoAPubChem	0.9	849.635
C16468PubChem	0.9	875.672
AR-1A9122PubChem	0.9	787.566
3-hydroxypropionyl-coenzyme APubChem	0.9	839.597
flavin adenine dinucleotidePubChem	0.9	785.55
3-hydroxypropionyl-CoAPubChem	0.9	839.597
c1137PubChem	0.9	875.672
trans-2-enoyl-CoAsPubChem	0.9	821.581
2-methyl-3-hydroxybutyryl-CoAPubChem	0.9	867.65
dihydronicotinamide formycin dinucleotidePubChem	0.9	665.441
C05275PubChem	0.9	919.768
deuteriumPubChem	0.9	2.01588
C11945PubChem	0.9	917.752
C05260PubChem	0.9	993.889
2-methylbutyryl-CoAPubChem	0.9	851.651
C01144PubChem	0.9	853.623
trans-2-hexadecenoyl-CoAPubChem	0.9	1003.93
NAD+PubChem	0.9	663.425
protiumPubChem	0.9	2.01576
2-methylacetoacetyl-coenzyme APubChem	0.9	865.634
3-hydroxydecanoyl-CoAPubChem	0.9	937.783
3-methylcrotonyl-CoAPubChem	0.9	849.635
methacrylyl-CoAPubChem	0.9	835.608
C05276PubChem	0.9	891.714
hydroxyl radicalsPubChem	0.9	17.0073
CHEBI:15477PubChem	0.9	851.651
NSC112207PubChem	0.9	785.55