SInCRe - Rv1700

Tuberculist information

Gene name	Rv1700
Protein function	NUDIX hydrolase
Functional category(tuberculist)	information pathways
Gene location(kb)	1925.58
Molecular mass(da)	22860.8
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 207

	  		  	1    VAEHDFETISSETLHTGAIFALRRDQVRMPGGGIVTREVVEHFGAVAIVAMDDNGNIPMV   60
			  	61   YQYRHTYGRRLWELPAGLLDVAGEPPHLTAARELREEVGLQASTWQVLVDLDTAPGFSDE  120
			  	121  SVRVYLATGLREVGRPEAHHEEADMTMGWYPIAEAARRVLRGEIVNSIAIAGVLAVHAVT  180
			  	181  TGFAQPRPLDTEWIDRPTAFAARRAER

Known structures in the PDB

	PDB ID	1MK1
	Total residue count	207
	Number of chains	1
	Method	X-RAY
	Resolution	2

	PDB ID	1MP2
	Total residue count	207
	Number of chains	1
	Method	X-RAY
	Resolution	2.3

	PDB ID	1MQE
	Total residue count	207
	Number of chains	1
	Method	X-RAY
	Resolution	2

	PDB ID	1MQW
	Total residue count	207
	Number of chains	1
	Method	X-RAY
	Resolution	2.3

	PDB ID	1MR2
	Total residue count	207
	Number of chains	1
	Method	X-RAY
	Resolution	2.3

Number of amino acids : 207

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
NUDIX	PF00293	42-174

Mtb Structural Proteome models

Model Number	1
Model name	Rv1700_1mqe_A
Template	1MQE APDB CREDO
Template coverage	6_207
Template Identity(%)	100.0
Model coverage(%)	97.1
Normalized DOPE score	-0.778

Model Number	2
Model name	Rv1700
Template	1MK1 APDB CREDO
Template coverage	6_207
Template Identity(%)	99.5
Model coverage(%)	97.1
Normalized DOPE score	-0.427

Structure Models from Chopin

Model Number	1
Profile	d.113.1.1 - 3.90.79.10 Click for model details
zscore	18.63
Residue begin	1
Residue end	207

Binding pockets

STRING

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

Protein interacting with Rv1700	Gene name	Confidence Score
Rv1699	pyrG	0.938
Rv1699	pyrG	0.938
Rv1017c	prsA	0.937
Rv1017c	prsA	0.937
Rv1701	Rv1701	0.932
Rv1701	Rv1701	0.932

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1700_1mqe_A	11	2y7j_B49_A_1294 PDB CREDO	0.592	0.189	0.592	0.002
Rv1700_1mqe_A	11	1pg2_ADN_A_552 PDB CREDO	0.610	0.167	0.582	0.003
Rv1700_1mqe_A	11	1cqp_803_A_311 PDB CREDO	0.577	0.207	0.577	0.003
Rv1700_1mqe_A	11	2x1l_ADN_C_601 PDB CREDO	0.597	0.182	0.571	0.004
Rv1700_1mqe_A	11	1gwr_EST_A_600 PDB CREDO	0.566	0.223	0.566	0.004
Rv1700_1mqe_A	11	1gwr_EST_B_600 PDB CREDO	0.564	0.224	0.564	0.004
Rv1700_1mqe_A	11	2y7j_B49_D_1294 PDB CREDO	0.590	0.191	0.564	0.004
Rv1700_1mqe_A	11	1qku_EST_B_600 PDB CREDO	0.559	0.231	0.559	0.004
Rv1700_1mqe_A	11	1pcg_EST_B_2 PDB CREDO	0.557	0.234	0.557	0.004
Rv1700_1mqe_A	11	1qku_EST_C_600 PDB CREDO	0.556	0.236	0.556	0.005
Rv1700_1mqe_A	11	1qku_EST_A_600 PDB CREDO	0.555	0.237	0.555	0.005
Rv1700_1mqe_A	11	1g50_EST_B_1600 PDB CREDO	0.553	0.240	0.553	0.005
Rv1700_1mqe_A	11	1ere_EST_A_600 PDB CREDO	0.551	0.243	0.551	0.005
Rv1700_1mqe_A	11	1ere_EST_E_600 PDB CREDO	0.551	0.243	0.551	0.005
Rv1700_1mqe_A	11	1ere_EST_B_600 PDB CREDO	0.549	0.246	0.549	0.005
Rv1700_1mqe_A	11	1cqp_803_B_311 PDB CREDO	0.540	0.258	0.540	0.006
Rv1700_1mqe_A	11	3hm1_J3Z_A_2 PDB CREDO	0.535	0.266	0.535	0.006
Rv1700_1mqe_A	5	1kij_NOV_A_400 PDB CREDO	0.522	0.285	0.522	0.008
Rv1700_1mqe_A	11	1g50_EST_C_2600 PDB CREDO	0.593	0.187	0.519	0.008
Rv1700_1mqe_A	11	3hm1_J3Z_B_1 PDB CREDO	0.593	0.187	0.519	0.008
Rv1700_1mqe_A	11	1qkt_EST_A_600 PDB CREDO	0.591	0.190	0.517	0.008
Rv1700_1mqe_A	11	2vuf_FUA_B_2001 PDB CREDO	0.540	0.258	0.516	0.009
Rv1700_1mqe_A	11	3oll_EST_A_600 PDB CREDO	0.589	0.193	0.515	0.009
Rv1700_1mqe_A	11	1ere_EST_F_600 PDB CREDO	0.588	0.194	0.514	0.009
Rv1700_1mqe_A	11	3oll_EST_B_600 PDB CREDO	0.588	0.194	0.514	0.009
Rv1700_1mqe_A	11	2jj8_AZZ_A_1211 PDB CREDO	0.538	0.261	0.514	0.009
Rv1700_1mqe_A	11	2j7x_EST_A_1454 PDB CREDO	0.587	0.195	0.513	0.009
Rv1700_1mqe_A	5	3tne_RIT_B_401 PDB CREDO	0.604	0.174	0.513	0.009
Rv1700_1mqe_A	11	1a52_EST_B_2 PDB CREDO	0.586	0.197	0.512	0.009
Rv1700_1mqe_A	11	1ere_EST_C_600 PDB CREDO	0.585	0.198	0.512	0.009
Rv1700_1mqe_A	11	1ere_EST_D_600 PDB CREDO	0.585	0.198	0.512	0.009
Rv1700_1mqe_A	5	1d4f_ADN_C_603 PDB CREDO	0.548	0.246	0.511	0.009
Rv1700_1mqe_A	11	1a52_EST_A_1 PDB CREDO	0.584	0.199	0.511	0.009
Rv1700_1mqe_A	11	1pcg_EST_A_1 PDB CREDO	0.582	0.201	0.510	0.009
Rv1700_1mqe_A	11	2qeo_LNR_A_200 PDB CREDO	0.508	0.305	0.508	0.010
Rv1700_1mqe_A	11	2ocf_EST_A_596 PDB CREDO	0.580	0.203	0.508	0.010
Rv1700_1mqe_A	11	2hnd_NVP_A_999 PDB CREDO	0.604	0.175	0.506	0.010
Rv1700_1mqe_A	11	2jj8_AZZ_D_1211 PDB CREDO	0.525	0.280	0.501	0.011
Rv1700_1mqe_A	5	1d4f_ADN_D_604 PDB CREDO	0.599	0.180	0.501	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
ADP-ribosePubChem	0.995	559.316
ADVPubChem	0.982	557.343
alpha,beta-methyleneadenosine 5'-diphosphatePubChem	0.979	425.228
gadoliniumPubChem	0.947	157.25
AMPCPRPubChem	0.9	557.343
manganesePubChem	0.9	54.938
AR6PubChem	0.8	559.316
DB03148PubChem	0.8	425.228
DB01975PubChem	0.8	557.343