SInCRe - Rv0417

Tuberculist information

Gene name	thiG
Protein function	Probable thiamin biosynthesis protein ThiG (thiazole biosynthesis protein)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	502.366
Molecular mass(da)	25845.7
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 252

	  		  	1    VAESKLVIGDRSFASRLIMGTGGATNLAVLEQALIASGTELTTVAIRRVDADGGTGLLDL   60
			  	61   LNRLGITPLPNTAGSRSAAEAVLTAQLAREALNTNWVKLEVIADERTLWPDAVELVRAAE  120
			  	121  QLVDDGFVVLPYTTDDPVLARRLEDTGCAAVMPLGSPIGTGLGIANPHNIEMIVAGARVP  180
			  	181  VVLDAGIGTASDAALAMELGCDAVLLASAVTRAADPPAMAAAMAAAVTAGYLARCAGRIP  240
			  	241  KRFWAQASSPAR

Known structures in the PDB

No Known structures

Number of amino acids : 252

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
ThiG	PF05690	7-250

Mtb Structural Proteome models

Model Number	1
Model name	Rv0417
Template	1WV2 APDB CREDO
Template coverage	1012_1251
Template Identity(%)	55.1
Model coverage(%)	93.3
Normalized DOPE score	-0.469

Structure Models from Chopin

Model Number	1
Profile	c.1.31.1 - 3.20.20.70 Click for model details
zscore	48.37
Residue begin	4
Residue end	250

Binding pockets

STRING

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

Protein interacting with Rv0417	Gene name	Confidence Score
Rv0414c	thiE	0.999
Rv0415	thiO	0.999
Rv0423c	thiC	0.998
Rv0423c	thiC	0.998
Rv0422c	thiD	0.987
Rv2682c	dxs1	0.986
Rv0416	thiS	0.986
Rv2682c	dxs1	0.986
Rv2682c	dxs1	0.986
Rv3116	moeB2	0.932
Rv3116	moeB2	0.932
Rv3116	moeB2	0.932
Rv3206c	moeB1	0.919
Rv3206c	moeB1	0.919
Rv3206c	moeB1	0.919
Rv1589	bioB	0.908
Rv1589	bioB	0.908

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
thiamine monophosphatePubChem	0.973	345.334
dehydroglycinePubChem	0.969	73.0507
1-deoxy-D-xylulose 5-phosphatePubChem	0.967	214.11
pyrophosphatePubChem	0.949	177.975
5'-deoxyadenosinePubChem	0.947	251.242
p-cresolPubChem	0.927	108.138
D-glyceraldehyde-3-phosphatePubChem	0.9	170.058
S-adenosyl-methioninePubChem	0.9	398.437
L-methioninePubChem	0.9	149.211
L-tyrosinePubChem	0.9	181.189
4-hydroxybenzyl alcoholPubChem	0.9	124.137
glyceraldehyde-3-phosphatePubChem	0.9	170.058
HMP-PPPubChem	0.9	299.115
S-adenosyl-L-methioninePubChem	0.9	399.445
tyrosinatePubChem	0.9	181.189
protiumPubChem	0.9	2.01576
deuteriumPubChem	0.9	2.01588
4-methyl-5-(beta-hydroxyethyl)thiazole phosphatePubChem	0.9	223.187
pyruvic acidPubChem	0.9	88.0621
H(+)PubChem	0.9	2.01588
carbon dioxidePubChem	0.9	44.0095
selenomethioninePubChem	0.787	196.106
SeMetPubChem	0.787	196.106
thiazolePubChem	0.761	85.1276
phosphatePubChem	0.75	96.9872
thiaminePubChem	0.747	265.355
thiamine pyrophosphatePubChem	0.743	425.314
thiazole phosphatePubChem	0.72	180.099
hydron diphosphatePubChem	0.7	391.981