SInCRe - Rv2697c

Tuberculist information

Gene name	dut
Protein function	Probable deoxyuridine 5'-triphosphate nucleotidohydrolase Dut (dUTPase) (dUTP pyrophosphatase) (deoxyuridine 5'-triphosphatase) (dUTP diphosphatase) (deoxyuridine-triphosphatase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	3013.68
Molecular mass(da)	15770.9
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 154

	  		  	1    VSTTLAIVRLDPGLPLPSRAHDGDAGVDLYSAEDVELAPGRRALVRTGVAVAVPFGMVGL   60
			  	61   VHPRSGLATRVGLSIVNSPGTIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVE  120
			  	121  LVELVEVSSFDEAGLASTSRGDGGHGSSGGHASL

Known structures in the PDB

	PDB ID	1MQ7
	Total residue count	154
	Number of chains	1
	Method	X-RAY
	Resolution	1.95

	PDB ID	1SIX
	Total residue count	174
	Number of chains	1
	Method	X-RAY
	Resolution	1.3

	PDB ID	1SJN
	Total residue count	510
	Number of chains	3
	Method	X-RAY
	Resolution	1.8

	PDB ID	1SLH
	Total residue count	522
	Number of chains	3
	Method	X-RAY
	Resolution	3

	PDB ID	1SM8
	Total residue count	522
	Number of chains	3
	Method	X-RAY
	Resolution	2.9

	PDB ID	1SMC
	Total residue count	522
	Number of chains	3
	Method	X-RAY
	Resolution	2.1

	PDB ID	1SNF
	Total residue count	522
	Number of chains	3
	Method	X-RAY
	Resolution	1.85

	PDB ID	2PY4
	Total residue count	174
	Number of chains	1
	Method	X-RAY
	Resolution	1.49

	PDB ID	3H6D
	Total residue count	174
	Number of chains	1
	Method	X-RAY
	Resolution	1.8

	PDB ID	3HZA
	Total residue count	174
	Number of chains	1
	Method	X-RAY
	Resolution	1.2

	PDB ID	3I93
	Total residue count	158
	Number of chains	1
	Method	X-RAY
	Resolution	1.8

	PDB ID	3LOJ
	Total residue count	174
	Number of chains	1
	Method	X-RAY
	Resolution	1.25

	PDB ID	4GCY
	Total residue count	174
	Number of chains	1
	Method	X-RAY
	Resolution	1.5

Number of amino acids : 154

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
dUTPase	PF00692	14-149

Mtb Structural Proteome models

Model Number	1
Model name	Rv2697c_1sjn_A
Template	1SJN APDB CREDO
Template coverage	2_132
Template Identity(%)	100.0
Model coverage(%)	84.4
Normalized DOPE score	-0.791

Model Number	2
Model name	Rv2697c
Template	1SIX APDB CREDO
Template coverage	1_144
Template Identity(%)	100.0
Model coverage(%)	92.9
Normalized DOPE score	-0.424

Model Number	3
Model name	Rv2697c_3hza_A
Template	3HZA APDB CREDO
Template coverage	0_154
Template Identity(%)	100.0
Model coverage(%)	100.0
Normalized DOPE score	-0.176

Structure Models from Chopin

Model Number	1
Profile	b.85.4.1 - 2.70.40.10 Click for model details
zscore	23.6
Residue begin	1
Residue end	154

Binding pockets

STRING

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

Protein interacting with Rv2697c	Gene name	Confidence Score
Rv2764c	thyA	0.993
Rv2445c	ndkA	0.989
Rv1391	dfp	0.988
Rv1391	dfp	0.988
Rv0321	dcd	0.981
Rv2976c	ung	0.972
Rv2754c	thyX	0.962
Rv3247c	tmk	0.936
Rv3051c	nrdE	0.934
Rv3051c	nrdE	0.934
Rv3051c	nrdE	0.934
Rv1699	pyrG	0.924
Rv1699	pyrG	0.924
Rv0682	rpsL	0.912
Rv1023	eno	0.909
Rv1023	eno	0.909

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2697c_1sjn_A	2	2ito_IRE_A_2020 PDB CREDO	0.696	0.084	0.670	0.001
Rv2697c_1sjn_A	2	1jg3_ADN_A_500 PDB CREDO	0.658	0.116	0.634	0.001
Rv2697c_1sjn_A	2	1ie4_T44_B_328 PDB CREDO	0.680	0.097	0.630	0.001
Rv2697c_1sjn_A	2	2ity_IRE_A_2020 PDB CREDO	0.703	0.079	0.626	0.001
Rv2697c_1sjn_A	2	2itz_IRE_A_2021 PDB CREDO	0.717	0.069	0.614	0.002
Rv2697c_1sjn_A	2	1jg3_ADN_B_550 PDB CREDO	0.659	0.116	0.611	0.002
Rv2697c_1sjn_A	2	1jg2_ADN_A_500 PDB CREDO	0.700	0.081	0.606	0.002
Rv2697c_1sjn_A	2	3ri5_IVM_A_349 PDB CREDO	0.627	0.148	0.604	0.002
Rv2697c_1sjn_A	2	3oht_1N1_A_1000 PDB CREDO	0.602	0.176	0.602	0.002
Rv2697c_1sjn_A	2	3ria_IVM_E_349 PDB CREDO	0.623	0.152	0.600	0.002
Rv2697c_1sjn_A	2	3rhw_IVM_A_348 PDB CREDO	0.623	0.153	0.600	0.002
Rv2697c_1sjn_A	2	3rhw_IVM_B_348 PDB CREDO	0.615	0.162	0.592	0.002
Rv2697c_1sjn_A	2	3rhw_IVM_B_349 PDB CREDO	0.614	0.163	0.591	0.002
Rv2697c_1sjn_A	2	3rhw_IVM_D_348 PDB CREDO	0.614	0.163	0.591	0.002
Rv2697c_1sjn_A	2	3ria_IVM_A_348 PDB CREDO	0.614	0.163	0.591	0.002
Rv2697c_1sjn_A	2	3ria_IVM_E_348 PDB CREDO	0.614	0.163	0.591	0.002
Rv2697c_1sjn_A	2	3rif_IVM_A_403 PDB CREDO	0.636	0.139	0.591	0.002
Rv2697c_1sjn_A	2	3ri5_IVM_D_349 PDB CREDO	0.613	0.164	0.590	0.003
Rv2697c_1sjn_A	2	3ria_IVM_C_350 PDB CREDO	0.613	0.164	0.590	0.003
Rv2697c_1sjn_A	2	3rif_IVM_E_402 PDB CREDO	0.613	0.164	0.590	0.003
Rv2697c_1sjn_A	2	3ri5_IVM_B_349 PDB CREDO	0.612	0.164	0.590	0.003
Rv2697c_1sjn_A	2	3rhw_IVM_D_349 PDB CREDO	0.610	0.167	0.588	0.003
Rv2697c_1sjn_A	2	1ie4_T44_A_128 PDB CREDO	0.711	0.073	0.584	0.003
Rv2697c_1sjn_A	2	3ria_IVM_C_349 PDB CREDO	0.623	0.153	0.579	0.003
Rv2697c_1sjn_A	2	3rif_IVM_A_402 PDB CREDO	0.623	0.153	0.579	0.003
Rv2697c_1sjn_A	2	3ri5_IVM_C_350 PDB CREDO	0.622	0.154	0.578	0.003
Rv2697c_1sjn_A	2	3rif_IVM_D_402 PDB CREDO	0.622	0.154	0.578	0.003
Rv2697c_1sjn_A	2	3rif_IVM_B_403 PDB CREDO	0.621	0.155	0.577	0.003
Rv2697c_1sjn_A	2	3f4x_KLT_A_300 PDB CREDO	0.596	0.184	0.574	0.003
Rv2697c_1sjn_A	2	3oht_1N1_B_1000 PDB CREDO	0.626	0.149	0.561	0.004
Rv2697c_1sjn_A	2	3ri5_IVM_E_349 PDB CREDO	0.628	0.147	0.560	0.004
Rv2697c_1sjn_A	2	3ads_IMN_B_3 PDB CREDO	0.740	0.053	0.559	0.004
Rv2697c_1sjn_A	2	3adx_IMN_B_3 PDB CREDO	0.651	0.123	0.558	0.004
Rv2697c_1sjn_A	2	3bbt_FMM_B_91 PDB CREDO	0.574	0.211	0.553	0.005
Rv2697c_1sjn_A	2	3spk_TPV_A_100 PDB CREDO	0.680	0.097	0.550	0.005
Rv2697c_1sjn_A	2	1ict_T44_C_128 PDB CREDO	0.665	0.110	0.546	0.005
Rv2697c_1sjn_A	2	3ut5_LOC_D_502 PDB CREDO	0.767	0.039	0.545	0.005
Rv2697c_1sjn_A	2	3sxr_1N1_A_1 PDB CREDO	0.610	0.167	0.544	0.006
Rv2697c_1sjn_A	2	2xkw_P1B_B_1475 PDB CREDO	0.580	0.204	0.539	0.006
Rv2697c_1sjn_A	2	2uxo_TAC_B_1211 PDB CREDO	0.629	0.146	0.539	0.006
Rv2697c_1sjn_A	2	3kw2_ADN_A_300 PDB CREDO	0.535	0.265	0.535	0.006
Rv2697c_1sjn_A	2	3bbt_FMM_D_91 PDB CREDO	0.637	0.138	0.532	0.007
Rv2697c_1sjn_A	2	3k54_1N1_A_1 PDB CREDO	0.551	0.243	0.531	0.007
Rv2697c_1sjn_A	2	1m17_AQ4_A_999 PDB CREDO	0.645	0.129	0.530	0.007
Rv2697c_1sjn_A	2	2xpv_MIY_A_1209 PDB CREDO	0.591	0.190	0.530	0.007
Rv2697c_1sjn_A	2	1ict_T44_D_129 PDB CREDO	0.593	0.188	0.528	0.007
Rv2697c_1sjn_A	2	3kw2_ADN_B_300 PDB CREDO	0.590	0.191	0.526	0.007
Rv2697c_1sjn_A	2	3q1e_T44_C_128 PDB CREDO	0.542	0.255	0.522	0.008
Rv2697c_1sjn_A	2	3sxr_1N1_B_2 PDB CREDO	0.610	0.167	0.522	0.008
Rv2697c_1sjn_A	2	1lhu_EST_A_301 PDB CREDO	0.579	0.205	0.519	0.008
Rv2697c_1sjn_A	2	3ut5_LOC_B_502 PDB CREDO	0.777	0.034	0.518	0.008
Rv2697c_1sjn_A	2	3g5d_1N1_B_1 PDB CREDO	0.559	0.232	0.518	0.008
Rv2697c_1sjn_A	2	1ya3_STR_C_3001 PDB CREDO	0.535	0.265	0.516	0.009
Rv2697c_1sjn_A	2	1oq5_CEL_A_701 PDB CREDO	0.554	0.238	0.515	0.009
Rv2697c_1sjn_A	2	3qlg_1N1_B_601 PDB CREDO	0.555	0.237	0.514	0.009
Rv2697c_1sjn_A	2	1sa1_POD_D_701 PDB CREDO	0.792	0.028	0.513	0.009
Rv2697c_1sjn_A	2	3g5d_1N1_A_1 PDB CREDO	0.553	0.240	0.512	0.009
Rv2697c_1sjn_A	2	3qlg_1N1_A_601 PDB CREDO	0.552	0.241	0.512	0.009
Rv2697c_1sjn_A	2	2xn7_T44_A_1355 PDB CREDO	0.597	0.183	0.511	0.009
Rv2697c_1sjn_A	2	1mx1_THA_C_3 PDB CREDO	0.568	0.219	0.509	0.009
Rv2697c_1sjn_A	2	1sn5_T3_C_601 PDB CREDO	0.645	0.129	0.509	0.010
Rv2697c_1sjn_A	2	1sa1_POD_B_700 PDB CREDO	0.804	0.023	0.505	0.010
Rv2697c_1sjn_A	2	1rv7_AB1_B_1001 PDB CREDO	0.612	0.165	0.503	0.010
Rv2697c_1sjn_A	2	1s9p_DES_A_459 PDB CREDO	0.561	0.229	0.503	0.010
Rv2697c_1sjn_A	2	3e22_LOC_B_700 PDB CREDO	0.709	0.074	0.503	0.010
Rv2697c_1sjn_A	2	3e22_LOC_D_700 PDB CREDO	0.709	0.074	0.503	0.010
Rv2697c_1sjn_A	2	1lhv_NOG_A_301 PDB CREDO	0.686	0.092	0.503	0.010
Rv2697c_1sjn_A	2	2fum_MIX_A_539 PDB CREDO	0.541	0.257	0.503	0.010
Rv2697c_1sjn_A	2	3r9c_ECL_A_452 PDB CREDO	0.635	0.140	0.500	0.011

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
dUMPPubChem	0.999	308.182
dUDPPubChem	0.999	388.162
deoxyuridine triphosphatePubChem	0.999	468.142
UPRPubChem	0.995	467.157
glycerolPubChem	0.981	92.0938
magnesiumPubChem	0.98	24.305
thymidylatePubChem	0.976	322.208
manganesePubChem	0.971	54.938
Tris-HClPubChem	0.966	121.135
pyrophosphatePubChem	0.961	177.975
H(+)PubChem	0.907	2.01588
deoxycytidine triphosphatePubChem	0.907	467.157
dihydrofolatePubChem	0.904	443.413
chromiumPubChem	0.903	51.9961
5,10-methylenetetrahydrofolatePubChem	0.902	457.44
uridine triphosphatePubChem	0.902	484.141
hydroxyl radicalsPubChem	0.902	17.0073
ammoniaPubChem	0.902	17.0305
nitratePubChem	0.9	62.0049
adenosine diphosphatePubChem	0.9	427.201
protiumPubChem	0.9	2.01576
adenosine triphosphatePubChem	0.9	507.181
N5,N10-methylenetetrahydrofolatePubChem	0.9	457.44
deuteriumPubChem	0.9	2.01588
polyethylene glycolPubChem	0.818	62.0678
DB03413PubChem	0.8	388.162
DB02333PubChem	0.8	468.142
DB01965PubChem	0.8	467.157
ethylene glycol; hydronPubChem	0.798	63.0758
sulfatePubChem	0.784	96.0626
hydron sulfatePubChem	0.784	196.157
chloridePubChem	0.781	35.453
Na(+)PubChem	0.736	22.9898
uracilPubChem	0.72	112.087
CHEBI:452315PubChem	0.708	469.532
1vyqPubChem	0.704	472.508