Rv1695

Tuberculist information
Gene nameppnK
Protein functionInorganic polyphosphate/ATP-NAD kinase PpnK (poly(P)/ATP NAD kinase)
Functional category(tuberculist)intermediary metabolism and respiration
Gene location(kb)1918.75
Molecular mass(da)32871.6
External sites TB Database TubercuList WebTB
Protein sequence
Number of amino acids : 307
	  		  	1    VTAHRSVLLVVHTGRDEATETARRVEKVLGDNKIALRVLSAEAVDRGSLHLAPDDMRAMG   60
			  	61   VEIEVVDADQHAADGCELVLVLGGDGTFLRAAELARNASIPVLGVNLGRIGFLAEAEAEA  120
			  	121  IDAVLEHVVAQDYRVEDRLTLDVVVRQGGRIVNRGWALNEVSLEKGPRLGVLGVVVEIDG  180
			  	181  RPVSAFGCDGVLVSTPTGSTAYAFSAGGPVLWPDLEAILVVPNNAHALFGRPMVTSPEAT  240
			  	241  IAIEIEADGHDALVFCDGRREMLIPAGSRLEVTRCVTSVKWARLDSAPFTDRLVRKFRLP  300
			  	301  VTGWRGK

Known structures in the PDB
PDB ID1U0R
Total residue count1228
Number of chains4
MethodX-RAY
Resolution2.8
PDB ID1U0T
Total residue count614
Number of chains2
MethodX-RAY
Resolution2.3
PDB ID1Y3H
Total residue count614
Number of chains2
MethodX-RAY
Resolution2.8
PDB ID1Y3I
Total residue count614
Number of chains2
MethodX-RAY
Resolution2.6
1 31 61 91 121 151 181 211 241 271 301 Range: 6 to 284  |  Coverage: 90% NAD_kinase Range: 5 to 306  |  Coverage: 98% 1 Range: 5 to 306  |  Coverage: 98% 2 Range: 2 to 307  |  Coverage: 99% 1 Range: 140 to 276  |  Coverage: 44% 2 Range: 3 to 172  |  Coverage: 55% 3
Number of amino acids : 307
Domains assigned based on sequence. Mtb Structural proteome models CHOPIN models
Profile-based domain assignment
Structural/Functional domain familyPfam acc.no./SCOP IDDomain Region
NAD_kinasePF015136-284
Mtb Structural Proteome models
Model Number1
Model nameRv1695_1u0t_A
Template1U0T    APDBCREDO
Template coverage5_306
Template Identity(%)100.0
Model coverage(%)98.0
Normalized DOPE score-1.396

Model Number2
Model nameRv1695
Template1U0T    APDBCREDO
Template coverage5_306
Template Identity(%)100.0
Model coverage(%)98.0
Normalized DOPE score-0.559

Structure Models from Chopin
Model Number1
Profilee.52.1.1
Click for model details
zscore56.36
Residue begin2
Residue end307
Model Number2
Profile2.60.200.30
Click for model details
zscore33.46
Residue begin140
Residue end276
Model Number3
Profile3.40.50.10330
Click for model details
zscore24.53
Residue begin3
Residue end172
Binding pockets
STRING
Cytoscape Web will replace the contents of this div with protein-protein interaction network.
Protein interacting with Rv1695Gene nameConfidence Score
Rv1694tlyA0.991
Rv1694tlyA0.991
Rv1696recN0.99
Rv1692Rv16920.978
Rv1692Rv16920.978
Rv1693Rv16930.974
Rv1691Rv16910.971
Rv2421cnadD0.933
Rv0157pntB0.926
Rv0156pntAb0.925
Rv0155pntAa0.92
Rv0155pntAa0.92
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
CHEMBL102443Inhibition = 63 %Inhibition of Mycobacterium tuberculosis NAD kinase at 1 mMhttp://www.ncbi.nlm.nih.gov/pubmed/17258457
CHEMBL232424Inhibition < 10 %Inhibition of Mycobacterium tuberculosis NAD kinase at 1 mMhttp://www.ncbi.nlm.nih.gov/pubmed/17258457
CHEMBL232633Inhibition = 40 %Inhibition of Mycobacterium tuberculosis NAD kinase at 1 mMhttp://www.ncbi.nlm.nih.gov/pubmed/17258457
CHEMBL233434IC50 = 200 uMInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
CHEMBL233434Inhibition < 10 %Inhibition of Mycobacterium tuberculosis NAD kinase at 1 mMhttp://www.ncbi.nlm.nih.gov/pubmed/17258457
CHEMBL233434Inhibition = 37 %Inhibition of Mycobacterium tuberculosis NAD kinase at 2 mMhttp://www.ncbi.nlm.nih.gov/pubmed/17258457
CHEMBL234703Inhibition < 10 %Inhibition of Mycobacterium tuberculosis NAD kinase at 1 mMhttp://www.ncbi.nlm.nih.gov/pubmed/17258457
CHEMBL234870Inhibition = 40 %Inhibition of Mycobacterium tuberculosis NAD kinase at 1 mMhttp://www.ncbi.nlm.nih.gov/pubmed/17258457
CHEMBL396046Inhibition = 30 %Inhibition of Mycobacterium tuberculosis NAD kinase at 1 mMhttp://www.ncbi.nlm.nih.gov/pubmed/17258457
CHEMBL538665Not ActiveInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
CHEMBL550645Not ActiveInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
CHEMBL550705Not ActiveInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
CHEMBL558497IC50 = 500 uMInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
CHEMBL559921IC50 = 80 uMInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
CHEMBL560315IC50 = 14 uMInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
CHEMBL561654IC50 = 45 uMInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
CHEMBL562056IC50 = 19 uMInhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assayhttp://www.ncbi.nlm.nih.gov/pubmed/19596199
Off-target activity - ligand based from TIBLE
  View results in TIBLE page
Predicted off-targetMethodSummaryFull results
Retinoic acid receptor RXR-alpha 1FBYPharmMapper7 hydroph + 0 HB + 1 pos/neg + 0 aromLink
GTPase HRas 1P2SPharmMapper0 hydroph + 14 HB + 1 pos/neg + 0 aromLink
Dihydroorotate dehydrogenase; mitochondrial 2FPYPharmMapper6 hydroph + 2 HB + 1 pos/neg + 0 aromLink
Glucokinase 1V4SPharmMapper3 hydroph + 5 HB + 0 pos/neg + 0 aromLink
Basic fibroblast growth factor receptor 1 2FGIPharmMapper6 hydroph + 2 HB + 0 pos/neg + 0 aromLink
Adenosine deaminase  PASSPa = 0.939 & SM = CHEMBL560315Link
Cyclic AMP phosphodiesterase  PASSPa = 0.757 & SM = CHEMBL560315Link
S-Adenosyl-L-Homocysteine Hydrolase Inhibitor SEAE_value = 2.99e-266 & MaxTC = 0.63Link
Adenosine A1 receptor SEAE_value = 7.4e-263 & MaxTC = 0.82Link
Adenosine A2a receptor SEAE_value = 3.49e-217 & MaxTC = 0.8Link
Adenosylhomocysteinase SEAE_value = 2.09e-216 & MaxTC = 0.77Link
Adenosine A2b receptor SEAE_value = 1.33e-214 & MaxTC = 0.8Link
Adenosine A3 receptor SEAE_value = 2e-205 & MaxTC = 0.8Link
P3 purinoceptor; P3 purinoceptor-like protein [-] SEAE_value = 2.85e-203 & MaxTC = 0.79Link
S-adenosyl-L-homocysteine hydrolase [-] SEAE_value = 5.04e-190 & MaxTC = 0.8Link
phosphoglycerate kinase [-] SEAE_value = 1.11e-179 & MaxTC = 0.8Link
adenosine A1 receptor SEAE_value = 6.83e-167 & MaxTC = 0.8Link
Adenosine (A1) Agonist SEAE_value = 2.03e-157 & MaxTC = 0.49Link
adenosine A2 receptor SEAE_value = 9.65e-150 & MaxTC = 0.8Link
glycosomal glyceraldehyde-3-phosphate dehydrogenase [-] SEAE_value = 7.55e-138 & MaxTC = 0.8Link
Adenosine (A2) Agonist SEAE_value = 2.41e-135 & MaxTC = 0.48Link
Equilibrative nucleoside transporter 1 SEAE_value = 8.6e-129 & MaxTC = 0.5Link
Adenosylhomocysteinase SEAE_value = 2.46e-126 & MaxTC = 0.77Link
Adenosine A3 receptor SEAE_value = 1.11e-119 & MaxTC = 0.82Link
adenosine A2A receptor SEAE_value = 1.52e-108 & MaxTC = 0.6Link
P2Y purinoceptor 1 [+] SEAE_value = 1.97e-108 & MaxTC = 0.65Link
putrescine aminopropyltransferase; spermidine synthase [-] SEAE_value = 2.1e-108 & MaxTC = 0.65Link
rRNA [-] SEAE_value = 8.29e-107 & MaxTC = 0.64Link
S-adenosyl-L-homocysteine hydrolase SEAE_value = 7.61e-105 & MaxTC = 0.73Link
P2Y12 platelet ADP receptor; P2YC purinoceptor 12 [-] SEAE_value = 1.26e-104 & MaxTC = 0.6Link
adenosine kinase; adenosine 5-phosphotransferase SEAE_value = 8.75e-102 & MaxTC = 0.8Link
2-5A-dependent ribonuclease; ribonuclease L [-] SEAE_value = 1.49e-99 & MaxTC = 0.55Link
Alcohol dehydrogenase alpha chain SEAE_value = 1.82e-98 & MaxTC = 0.69Link
Adenosine A1 receptor SEAE_value = 1.13e-97 & MaxTC = 0.6Link
adenylyl cyclase type V [-] SEAE_value = 3.04e-97 & MaxTC = 0.44Link
P2Y purinoceptor [-] SEAE_value = 4.1e-97 & MaxTC = 0.8Link
prenylcysteine carboxyl methyltransferase; prenylated protein carboxyl methyltransferase [-] SEAE_value = 9.96e-97 & MaxTC = 0.67Link
P2Y purinoceptor SEAE_value = 1.67e-94 & MaxTC = 0.8Link
adenosine A1 receptor [-] SEAE_value = 2.98e-92 & MaxTC = 0.82Link
glutamate dehydrogenase [-] SEAE_value = 1.31e-90 & MaxTC = 0.69Link
adenylyl cyclase type I [-] SEAE_value = 1.33e-90 & MaxTC = 0.8Link
Glyceraldehyde-3-phosphate dehydrogenase liver SEAE_value = 3.36e-87 & MaxTC = 0.55Link
adenosine A2 receptor [+] SEAE_value = 3.66e-87 & MaxTC = 0.8Link
adenosine A2A receptor [-] SEAE_value = 2.91e-83 & MaxTC = 0.82Link
2-5A-dependent ribonuclease; ribonuclease L SEAE_value = 8.48e-83 & MaxTC = 0.49Link
Adenosine kinase SEAE_value = 1.31e-77 & MaxTC = 0.8Link
ectonucleoside triphosphate diphosphohydrolase 1 [-] SEAE_value = 1.27e-75 & MaxTC = 0.59Link
S-Adenosyl-L-methionine Decarboxylase Inhibitor SEAE_value = 1.75e-75 & MaxTC = 0.62Link
adenosine A2B receptor [+] SEAE_value = 6.25e-74 & MaxTC = 0.6Link
inosine-5-monophosphate dehydrogenase 1 [-] SEAE_value = 2.06e-69 & MaxTC = 0.86Link
adenosine A2 receptor [-] SEAE_value = 3.28e-69 & MaxTC = 0.6Link
poly(ADP-ribose) glycohydrolase [-] SEAE_value = 1.45e-68 & MaxTC = 0.52Link
P2Y purinoceptor 1 SEAE_value = 3.38e-68 & MaxTC = 0.65Link
adenosine A2B receptor SEAE_value = 1.02e-67 & MaxTC = 0.6Link
Adenosine A2a receptor SEAE_value = 3.62e-66 & MaxTC = 0.77Link
adenosine A3 receptor SEAE_value = 2.32e-60 & MaxTC = 0.6Link
P2Y purinoceptor 2; ATP receptor SEAE_value = 2.08e-55 & MaxTC = 0.59Link
alcohol dehydrogenase [-] SEAE_value = 3.12e-55 & MaxTC = 0.86Link
guanosine binding site [-] SEAE_value = 4.64e-55 & MaxTC = 0.8Link
adenosine A3 receptor [-] SEAE_value = 1.73e-54 & MaxTC = 0.82Link
P2Y purinoceptor 11; ATP receptor SEAE_value = 4.73e-54 & MaxTC = 0.59Link
adenosine kinase; adenosine 5-phosphotransferase [-] SEAE_value = 1.75e-43 & MaxTC = 0.8Link
5-methylthioadenosine phosphorylase; MTA phosphorylase [-] SEAE_value = 5.47e-43 & MaxTC = 0.82Link
adenosine deaminase [-] SEAE_value = 1.9e-40 & MaxTC = 0.8Link
Poly [ADP-ribose] polymerase-1 SEAE_value = 7.57e-38 & MaxTC = 0.47Link
Adenosine A2a receptor SEAE_value = 9.92e-38 & MaxTC = 0.58Link
adenosine A2A receptor [+] SEAE_value = 5.98e-37 & MaxTC = 0.6Link
5-nucleotidase SEAE_value = 1.68e-34 & MaxTC = 0.61Link
adenosine A3 receptor [+] SEAE_value = 1.12e-33 & MaxTC = 0.8Link
Adenosine A1 receptor SEAE_value = 1.19e-33 & MaxTC = 0.81Link
nonstructural protein NS5B; RNA-directed RNA polymerase [-] SEAE_value = 1.4e-31 & MaxTC = 0.62Link
cAMP-dependent protein kinase type II-alpha regulatory subunit SEAE_value = 1.51e-31 & MaxTC = 0.61Link
glycosomal glyceraldehyde-3-phosphate dehydrogenase SEAE_value = 1.56e-30 & MaxTC = 0.61Link
Estradiol 17-beta-dehydrogenase 1 SEAE_value = 9.56e-30 & MaxTC = 0.41Link
O6-Alkylguanine-DNA Alkyltransferase Inhibitor SEAE_value = 1.84e-26 & MaxTC = 0.44Link
1-deoxy-D-xylulose 5-phosphate reductoisomerase [-] SEAE_value = 7.93e-25 & MaxTC = 0.48Link
inosine-5-monophosphate dehydrogenase 2 [-] SEAE_value = 3.05e-24 & MaxTC = 0.86Link
Purinergic receptor P2Y1 SEAE_value = 3.26e-24 & MaxTC = 0.45Link
P2Y purinoceptor 2; ATP receptor [+] SEAE_value = 3.67e-24 & MaxTC = 0.59Link
Alcohol dehydrogenase beta chain SEAE_value = 2.97e-23 & MaxTC = 0.69Link
P2Y purinoceptor 1 [-] SEAE_value = 2.45e-22 & MaxTC = 0.54Link
isoleucyl-tRNA synthetase [-] SEAE_value = 3.14e-21 & MaxTC = 0.54Link
interferon-alpha [+] SEAE_value = 9.75e-21 & MaxTC = 0.43Link
catabolite repression HPr [-] SEAE_value = 2.51e-19 & MaxTC = 0.61Link
inositol 1;4;5-triphosphate receptor type 1 [+] SEAE_value = 9.61e-19 & MaxTC = 0.5Link
poly(ADP-ribose) polymerase-1; NAD(+) ADP-ribosyltransferase; poly(ADP-ribose) synthetase [-] SEAE_value = 3.41e-18 & MaxTC = 0.54Link
S-adenosylmethionine decarboxylase [-] SEAE_value = 1.97e-15 & MaxTC = 0.68Link
Cytidine deaminase SEAE_value = 3.83e-15 & MaxTC = 0.48Link
[3H]nitrobenzylthioinosine; equilibrative nucleoside transporter 1; equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter [-] SEAE_value = 6.69e-15 & MaxTC = 0.44Link
serotonin N-acetyltransferase; aralkylamine N-acetyltransferase; melatonin rhythm enzyme [-] SEAE_value = 9.8e-15 & MaxTC = 0.37Link
Adenosine Deaminase Inhibitor SEAE_value = 2.73e-14 & MaxTC = 0.4Link
equilibrative nucleoside transporter 1; equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter [-] SEAE_value = 3.63e-13 & MaxTC = 0.5Link
ATP-dependent RNA helicase [-] SEAE_value = 5.27e-12 & MaxTC = 0.44Link
estradiol 17-beta-dehydrogenase 1; placental 17-beta-hydroxysteroid dehydrogenase [-] SEAE_value = 1.4e-11 & MaxTC = 0.42Link
adenosine A2B receptor [-] SEAE_value = 2.64e-11 & MaxTC = 0.82Link
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
NAD+PubChem0.996663.425
NADPPubChem0.992744.413
hydron sulfatePubChem0.974196.157
sulfatePubChem0.97496.0626
adenosine triphosphatePubChem0.959507.181
phosphatePubChem0.9596.9872
glycerolPubChem0.93192.0938
zincPubChem0.965.409
deuteriumPubChem0.92.01588
H(+)PubChem0.92.01588
hydroxyl radicalsPubChem0.917.0073
adenosine diphosphatePubChem0.9427.201
protiumPubChem0.92.01576
DB03363PubChem0.8663.425
magnesiumPubChem0.75924.305