SInCRe - Rv3313c

Tuberculist information

Gene name	add
Protein function	Probable adenosine deaminase Add (adenosine aminohydrolase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	3701.09
Molecular mass(da)	39743.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 365

	  		  	1    MTAAPTLQTIRLAPKALLHDHLDGGLRPATVLDIAGQVGYDDLPATDVDALASWFRTQSH   60
			  	61   SGSLERYLEPFSHTVAVMQTPEALYRVAFECAQDLAADSVVYAEVRFAPELHISCGLSFD  120
			  	121  DVVDTVLTGFAAGEKACAADGQPITVRCLVTAMRHAAMSREIAELAIRFRDKGVVGFDIA  180
			  	181  GAEAGHPPTRHLDAFEYMRDHNARFTIHAGEAFGLPSIHEAIAFCGADRLGHGVRIVDDI  240
			  	241  DVDADGGFQLGRLAAILRDKRIPLELCPSSNVQTGAVASIAEHPFDLLARARFRVTVNTD  300
			  	301  NRLMSDTSMSLEMHRLVEAFGYGWSDLARFTVNAMKSAFIPFDQRLAIIDEVIKPRFAAL  360
			  	361  MGHSE

Known structures in the PDB

	PDB ID	3E53
	Total residue count	480
	Number of chains	1
	Method	X-RAY
	Resolution	2.35

	PDB ID	3R44
	Total residue count	517
	Number of chains	1
	Method	X-RAY
	Resolution	1.8

	PDB ID	3T5A
	Total residue count	480
	Number of chains	1
	Method	X-RAY
	Resolution	2.05

	PDB ID	3T5B
	Total residue count	396
	Number of chains	1
	Method	X-RAY
	Resolution	2.35

	PDB ID	3T5C
	Total residue count	792
	Number of chains	2
	Method	X-RAY
	Resolution	2.09

Number of amino acids : 365

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
A_deaminase	PF00962	12-351

Mtb Structural Proteome models

Model Number	1
Model name	Rv3313c
Template	1A4M APDB CREDO
Template coverage	8_349
Template Identity(%)	28.7
Model coverage(%)	93.4
Normalized DOPE score	-0.684

Structure Models from Chopin

Model Number	1
Profile	c.1.9.1 - 3.20.20.140 Click for model details
zscore	53.01
Residue begin	1
Residue end	365

Binding pockets

STRING

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

Protein interacting with Rv3313c	Gene name	Confidence Score
Rv3307	deoD	0.996
Rv3315c	cdd	0.994
Rv2202c	adoK	0.983
Rv3314c	deoA	0.979
Rv3314c	deoA	0.979
Rv3314c	deoA	0.979
Rv1389	gmk	0.971
Rv3393	iunH	0.953
Rv1848	ureA	0.919
Rv3624c	hpt	0.918
Rv0773c	ggtA	0.911

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
adenosinePubChem	0.99	267.241
deoxyadenosinePubChem	0.979	251.242
adeninePubChem	0.958	135.127
inosinePubChem	0.957	268.226
hypoxanthinePubChem	0.955	136.111
adenosine diphosphatePubChem	0.948	427.201
adenosine triphosphatePubChem	0.948	507.181
deoxyinosinePubChem	0.946	252.227
2'-deoxycoformycinPubChem	0.943	268.269
ribose 1-phosphatePubChem	0.937	230.11
inosine monophosphatePubChem	0.934	348.206
coformycinPubChem	0.925	284.269
2-deoxy-alpha-D-ribose 1-phosphatePubChem	0.925	214.11
pentostatinPubChem	0.924	268.269
2-deoxyinosinePubChem	0.921	252.227
phosphatePubChem	0.921	96.9872
deoxyribose-1-phosphatePubChem	0.915	214.11
ammoniaPubChem	0.914	17.0305
adenosine deaminase inhibitorPubChem	0.909	277.365
EHNAPubChem	0.907	277.365
hydroxyl radicalsPubChem	0.904	17.0073
H(+)PubChem	0.902	2.01588
deuteriumPubChem	0.902	2.01588
protiumPubChem	0.901	2.01576
adenine-desoxyribosidePubChem	0.9	251.242
glycerolPubChem	0.835	92.0938
erythro-9-(2-hydroxy-3-nonyl)-3-deazaadeninePubChem	0.818	276.377
androsta-1,4-diene-3,17-dionePubChem	0.811	284.393
1-deazaadenosinePubChem	0.807	266.253
6-hydroxyl-1,6-dihydropurine ribonucleosidePubChem	0.8	270.242
zincPubChem	0.789	65.409
purine nucleosidePubChem	0.754	252.227
9alpha-hydroxy-4-androstene-3,17-dionePubChem	0.753	302.408
9-hydroxy-4-androstene-3,17-dionePubChem	0.748	302.408
androstenedionePubChem	0.737	286.409
beta-sitosterolPubChem	0.732	414.707
KSHPubChem	0.723	441.503
Fr9PubChem	0.707	446.502
1umlPubChem	0.707	445.514
FR7PubChem	0.707	342.22
FR5PubChem	0.707	499.564
FR8PubChem	0.707	473.567
Fr6PubChem	0.707	323.389
CHEMBL18496PubChem	0.707	276.377
1v7aPubChem	0.707	339.388
NSC218321PubChem	0.707	268.269