SInCRe - Rv3601c

Tuberculist information

Gene name	panD
Protein function	Probable aspartate 1-decarboxylase precursor PanD (aspartate alpha-decarboxylase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	4043.86
Molecular mass(da)	14885
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 139

	  		  	1    MLRTMLKSKIHRATVTCADLHYVGSVTIDADLMDAADLLEGEQVTIVDIDNGARLVTYAI   60
			  	61   TGERGSGVIGINGAAAHLVHPGDLVILIAYATMDDARARTYQPRIVFVDAYNKPIDMGHD  120
			  	121  PAFVPENAGELLDPRLGVG

Known structures in the PDB

	PDB ID	2C45
	Total residue count	1112
	Number of chains	8
	Method	X-RAY
	Resolution	2.99

Number of amino acids : 139

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
Asp_decarbox	PF02261	1-116

Mtb Structural Proteome models

Model Number	1
Model name	Rv3601c
Template	1PQH APDB CREDO
Template coverage	1_116
Template Identity(%)	48.7
Model coverage(%)	82.7
Normalized DOPE score	-0.605

Model Number	2
Model name	Rv3601c_2c45_A
Template	2C45 APDB CREDO
Template coverage	1_114
Template Identity(%)	100.0
Model coverage(%)	81.3
Normalized DOPE score	-0.544

Structure Models from Chopin

Model Number	1
Profile	b.52.2.1 - 2.40.40.20 Click for model details
zscore	34.83
Residue begin	1
Residue end	115

Binding pockets

STRING

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

Protein interacting with Rv3601c	Gene name	Confidence Score
Rv3602c	panC	0.999
Rv3600c	Rv3600c	0.988
Rv2225	panB	0.987
Rv1391	dfp	0.978
Rv1391	dfp	0.978
Rv3603c	Rv3603c	0.968
Rv3603c	Rv3603c	0.968
Rv1595	nadB	0.955
Rv1595	nadB	0.955
Rv1380	pyrB	0.941
Rv1594	nadA	0.941
Rv1380	pyrB	0.941
Rv2573	Rv2573	0.938
Rv2573	Rv2573	0.938
Rv1596	nadC	0.936
Rv1596	nadC	0.936
Rv0357c	purA	0.931
Rv0823c	Rv0823c	0.928
Rv0458	Rv0458	0.917
Rv1589	bioB	0.911
Rv1589	bioB	0.911
Rv0768	aldA	0.908
Rv2589	gabT	0.907
Rv2858c	aldC	0.907
Rv0147	Rv0147	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
pantothenic acidPubChem	0.983	219.235
beta-alaninePubChem	0.977	89.0932
aspartatePubChem	0.976	133.103
pantoatePubChem	0.943	148.157
carbon dioxidePubChem	0.909	44.0095
adenosine monophosphatePubChem	0.9	347.221
potassium aspartatePubChem	0.9	133.103
pyrophosphatePubChem	0.9	177.975
protiumPubChem	0.9	2.01576
adenosine triphosphatePubChem	0.9	507.181
deuteriumPubChem	0.9	2.01588
H(+)PubChem	0.9	2.01588
pyruvic acidPubChem	0.798	88.0621
coenzyme APubChem	0.787	767.534
acetatePubChem	0.719	59.044
lactatePubChem	0.709	90.0779
D-lactatePubChem	0.709	90.0779
fumaratePubChem	0.708	116.072
hydride acetatePubChem	0.707	61.0599
diethylene glycolPubChem	0.707	106.12
selenomethioninePubChem	0.7	196.106
glycerolPubChem	0.7	92.0938
chloridePubChem	0.7	35.453
SeMetPubChem	0.7	196.106