SInCRe - Rv0761c

Tuberculist information

Gene name	adhB
Protein function	Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	854.699
Molecular mass(da)	39715.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 375

	  		  	1    VKTKGALIWEFNQPWSVEEIEIGDPRKDEVKIQMEAAGMCRSDHHLVTGDIPMAGFPVLG   60
			  	61   GHEGAGIVTEVGPGVDDFAPGDHVVLAFIPSCGKCPSCQAGMRNLCDLGAGLLAGESVTD  120
			  	121  GSFRIQARGQNVYPMTLLGTFSPYMVVHRSSVVKIDPSVPFEVACLVGCGVTTGYGSAVR  180
			  	181  TADVRPGDDVAIVGLGGVGMAALQGAVSAGARYVFAVEPVEWKRDQALKFGATHVYPDIN  240
			  	241  AALMGIAEVTYGLMAQKVIITVGKLDGADVDSYLTITAKGGTCVLTAIGSLVDTQVTLNL  300
			  	301  AMLTLLQKNIQGTIFGGGNPHYDIPKLLSMYKAGKLNLDDMVTTAYKLEQINDGYQDMLN  360
			  	361  GKNIRGVIRYTDDDR

Known structures in the PDB

No Known structures

Number of amino acids : 375

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
ADH_N	PF08240	27-155
ADH_zinc_N	PF00107	197-329
ADH_zinc_N_2	PF13602	230-364

Mtb Structural Proteome models

Model Number	1
Model name	Rv0761c
Template	1U3T APDB CREDO
Template coverage	7_374
Template Identity(%)	36.1
Model coverage(%)	98.4
Normalized DOPE score	-0.564

Structure Models from Chopin

Model Number	1
Profile	3.40.50.720, 3.90.180.10 Click for model details
zscore	33.51
Residue begin	1
Residue end	375

Model Number	2
Profile	3.90.180.10 Click for model details
zscore	21.35
Residue begin	27
Residue end	155

Model Number	3
Profile	3.90.180.10 Click for model details
zscore	18.32
Residue begin	1
Residue end	372

Binding pockets

STRING

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

Protein interacting with Rv0761c	Gene name	Confidence Score
Rv0768	aldA	0.938
Rv2259	mscR	0.931
Rv2259	mscR	0.931
Rv0162c	adhE1	0.919
Rv0162c	adhE1	0.919
Rv0458	Rv0458	0.913
Rv3086	adhD	0.908
Rv3086	adhD	0.908
Rv0223c	Rv0223c	0.907
Rv2858c	aldC	0.905
Rv1703c	Rv1703c	0.904
Rv0147	Rv0147	0.903

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
NAD+PubChem	0.969	663.425
acetaldehydePubChem	0.965	44.0526
methanolPubChem	0.939	30.026
reduced nicotinamide adenine dinucleotidePubChem	0.927	665.441
H(+)PubChem	0.916	2.01588
2-hydroxymethylnaphthalenePubChem	0.907	158.197
dihydronicotinamide formycin dinucleotidePubChem	0.904	665.441
deuteriumPubChem	0.903	2.01588
3,4-dihydroxyphenylglycolPubChem	0.9	170.163
3,4-dihydroxyphenylglycolaldehydePubChem	0.9	168.147
protiumPubChem	0.9	2.01576
2-naphthaldehydePubChem	0.9	156.181
trans-3-chloroallyl alcoholPubChem	0.9	92.5242
NSC508744PubChem	0.9	92.5242
1-naphthalenecarboxaldehydePubChem	0.9	156.181
C16348PubChem	0.9	90.5083
1-hydroxymethylnaphthalenePubChem	0.9	158.197
3-chloro-2-PropenalPubChem	0.9	90.5083
zincPubChem	0.772	65.409
ethanolPubChem	0.757	46.0684