SInCRe - Rv1070c

Tuberculist information

Gene name	echA8
Protein function	Probable enoyl-CoA hydratase EchA8 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase)
Functional category(tuberculist)	lipid metabolism
Gene location(kb)	1194.27
Molecular mass(da)	27273.1
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 257

	  		  	1    MTYETILVERDQRVGIITLNRPQALNALNSQVMNEVTSAATELDDDPDIGAIIITGSAKA   60
			  	61   FAAGADIKEMADLTFADAFTADFFATWGKLAAVRTPTIAAVAGYALGGGCELAMMCDVLI  120
			  	121  AADTAKFGQPEIKLGVLPGMGGSQRLTRAIGKAKAMDLILTGRTMDAAEAERSGLVSRVV  180
			  	181  PADDLLTEARATATTISQMSASAARMAKEAVNRAFESSLSEGLLYERRLFHSAFATEDQS  240
			  	241  EGMAAFIEKRAPQFTHR

Known structures in the PDB

	PDB ID	3H81
	Total residue count	834
	Number of chains	3
	Method	X-RAY
	Resolution	1.8

	PDB ID	3PZK
	Total residue count	771
	Number of chains	3
	Method	X-RAY
	Resolution	2.23

	PDB ID	3Q0G
	Total residue count	1542
	Number of chains	6
	Method	X-RAY
	Resolution	2.38

	PDB ID	3Q0J
	Total residue count	1548
	Number of chains	6
	Method	X-RAY
	Resolution	2.4

	PDB ID	4FJW
	Total residue count	771
	Number of chains	3
	Method	X-RAY
	Resolution	2.2

Number of amino acids : 257

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	7-249

Mtb Structural Proteome models

Model Number	1
Model name	Rv1070c_3h81_A
Template	3H81 APDB CREDO
Template coverage	23_278
Template Identity(%)	100.0
Model coverage(%)	99.2
Normalized DOPE score	-0.769

Model Number	2
Model name	Rv1070c
Template	1MJ3 APDB CREDO
Template coverage	32_289
Template Identity(%)	50.2
Model coverage(%)	98.8
Normalized DOPE score	-0.203

Structure Models from Chopin

Model Number	1
Profile	c.14.1.3 - 3.90.226.10 Click for model details
zscore	32.43
Residue begin	1
Residue end	257

Model Number	2
Profile	1.10.12.10 Click for model details
zscore	15.6
Residue begin	198
Residue end	257

Binding pockets

STRING

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

Protein interacting with Rv1070c	Gene name	Confidence Score
Rv0468	fadB2	0.996
Rv0468	fadB2	0.996
Rv1715	fadB3	0.979
Rv1715	fadB3	0.979
Rv3274c	fadE25	0.932
Rv3274c	fadE25	0.932
Rv3274c	fadE25	0.932
Rv0752c	fadE9	0.928
Rv0752c	fadE9	0.928
Rv0860	fadB	0.928
Rv0860	fadB	0.928
Rv0860	fadB	0.928
Rv0752c	fadE9	0.928
Rv1467c	fadE15	0.927
Rv0400c	fadE7	0.927
Rv1467c	fadE15	0.927
Rv0400c	fadE7	0.927
Rv0244c	fadE5	0.927
Rv1467c	fadE15	0.927
Rv0400c	fadE7	0.927
Rv0244c	fadE5	0.927
Rv1467c	fadE15	0.927
Rv0244c	fadE5	0.927
Rv1467c	fadE15	0.927
Rv0244c	fadE5	0.927
Rv0244c	fadE5	0.927
Rv2724c	fadE20	0.926
Rv2724c	fadE20	0.926
Rv2724c	fadE20	0.926
Rv2502c	accD1	0.925
Rv0215c	fadE3	0.917
Rv0215c	fadE3	0.917
Rv0215c	fadE3	0.917
Rv0975c	fadE13	0.915
Rv0975c	fadE13	0.915
Rv0975c	fadE13	0.915
Rv3139	fadE24	0.91
Rv0154c	fadE2	0.91
Rv0154c	fadE2	0.91
Rv3761c	fadE36	0.91
Rv0154c	fadE2	0.91
Rv3139	fadE24	0.91
Rv1071c	echA9	0.91
Rv3139	fadE24	0.91
Rv1071c	echA9	0.91
Rv0228	Rv0228	0.909
Rv0972c	fadE12	0.908
Rv0972c	fadE12	0.908
Rv0972c	fadE12	0.908
Rv1679	fadE16	0.906
Rv1679	fadE16	0.906
Rv1679	fadE16	0.906
Rv2789c	fadE21	0.902
Rv2789c	fadE21	0.902
Rv2789c	fadE21	0.902
Rv3564	fadE33	0.901
Rv3564	fadE33	0.901
Rv3562	fadE31	0.901
Rv3562	fadE31	0.901
Rv3562	fadE31	0.901

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 Name	Confidence score	Molecular Weight
crotonyl-CoAPubChem	0.939	835.608
glycerolPubChem	0.919	92.0938
acryloyl-CoAPubChem	0.914	821.581
methacrylyl-CoAPubChem	0.913	835.608
3-hydroxypropionyl-CoAPubChem	0.911	839.597
3-hydroxybutyryl-CoAPubChem	0.911	853.623
trans-2-enoyl-CoAsPubChem	0.911	821.581
3-hydroxypropionyl-coenzyme APubChem	0.909	839.597
calciumPubChem	0.908	40.078
deuteriumPubChem	0.905	2.01588
H(+)PubChem	0.904	2.01588
C05268PubChem	0.9	881.677
3-Hydroxydecanoyl-coenzyme APubChem	0.9	937.783
C0885PubChem	0.9	917.752
methylcrotonyl CoAPubChem	0.9	849.635
2-methyl-3-hydroxybutyryl-CoAPubChem	0.9	867.65
C14145PubChem	0.9	911.659
c0887PubChem	0.9	935.767
1,5-dihydro-FADPubChem	0.9	787.566
CHEBI:27668PubChem	0.9	965.836
FADH2PubChem	0.9	787.566
c1138PubChem	0.9	893.687
alpha-methylbutyryl-CoAPubChem	0.9	851.651
3-hydroxyhexadecanoyl-CoAPubChem	0.9	1021.94
2-methylbutyryl-CoAPubChem	0.9	851.651
crotonyl-coenzyme APubChem	0.9	835.608
C05271PubChem	0.9	863.661
trans-2-hexenoyl-coenzyme APubChem	0.9	863.661
C04405PubChem	0.9	867.65
AR-1A9122PubChem	0.9	787.566
C05262PubChem	0.9	965.836
3-methylcrotonyl-CoAPubChem	0.9	849.635
C11946PubChem	0.9	917.752
C05273PubChem	0.9	975.874
NAD+PubChem	0.9	663.425
C16468PubChem	0.9	875.672
dihydronicotinamide formycin dinucleotidePubChem	0.9	665.441
C05266PubChem	0.9	909.73
CHEBI:15477PubChem	0.9	851.651
C03221PubChem	0.9	947.821
hydroxyl radicalsPubChem	0.9	17.0073
trans-2-decenoyl-coenzyme APubChem	0.9	919.768
C11945PubChem	0.9	917.752
C01144PubChem	0.9	853.623
flavin adenine dinucleotidePubChem	0.9	785.55
3-hydroxyhexanoyl-coenzyme APubChem	0.9	881.677
c1137PubChem	0.9	875.672
2-methylacetoacetyl-coenzyme APubChem	0.9	865.634
2-methylacetoacetyl-CoAPubChem	0.9	865.634
protiumPubChem	0.9	2.01576
C05275PubChem	0.9	919.768
trans-2-octenoyl-coenzyme APubChem	0.9	891.714
NSC112207PubChem	0.9	785.55
C05260PubChem	0.9	993.889
3-hydroxyadipyl-CoAPubChem	0.9	911.659
c0030PubChem	0.9	853.623
trans-2-hexadecenoyl-CoAPubChem	0.9	1003.93
2MCPubChem	0.9	835.608
CHEBI:28632PubChem	0.9	909.73
C05258PubChem	0.9	1021.94
3-hydroxydecanoyl-CoAPubChem	0.9	937.783
CHEBI:15471PubChem	0.9	947.821
C05276PubChem	0.9	891.714
reduced nicotinamide adenine dinucleotidePubChem	0.9	665.441
C16469PubChem	0.9	893.687
C11947PubChem	0.9	935.767