SInCRe - Rv3051c

Tuberculist information

Gene name	nrdE
Protein function	Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein)
Functional category(tuberculist)	information pathways
Gene location(kb)	3412.08
Molecular mass(da)	79290.8
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 693

	  		  	1    MLNLYDADGKIQFDKDREAAHQYFLQHVNQNTVFFHNQDEKLDYLIRENYYEREVLDQYS   60
			  	61   RNFVKTLLDRAYAKKFRFPTFLGAFKYYTSYTLKTFDGKRYLERFEDRVVMVALTLAAGD  120
			  	121  TALAELLVDEIIDGRFQPATPTFLNSGKKQRGEPVSCFLLRVEDNMESIGRSINSALQLS  180
			  	181  KRGGGVALLLTNIREHGAPIKNIENQSSGVIPIMKLLEDAFSYANQLGARQGAGAVYLHA  240
			  	241  HHPDIYRFLDTKRENADEKIRIKTLSLGVVIPDITFELAKRNDDMYLFSPYDVERVYGVP  300
			  	301  FADISVTEKYYEMVDDARIRKTKIKAREFFQTLAELQFESGYPYIMFEDTVNRANPIDGK  360
			  	361  ITHSNLCSEILQVSTPSLFNEDLSYAKVGKDISCNLGSLNIAKTMDSPDFAQTIEVAIRA  420
			  	421  LTAVSDQTHIKSVPSIEQGNNDSHAIGLGQMNLHGYLARERIFYGSDEGIDFTNIYFYTV  480
			  	481  LYHALRASNRIAIERGTHFKGFERSKYASGEFFDKYTDQIWEPKTQKVRQLFADAGIRIP  540
			  	541  TQDDWRRLKESVQAHGIYNQNLQAVPPTGSISYINHSTSSIHPIVSKVEIRKEGKIGRVY  600
			  	601  YPAPYMTNDNLEYYEDAYEIGYEKIIDTYAAATQHVDQGLSLTLFFKDTATTRDVNKAQI  660
			  	661  YAWRKGIKTLYYIRLRQMALEGTEVEGCVSCML

Known structures in the PDB

No Known structures

Number of amino acids : 693

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
RNR_N	PF08343	1-76
Ribonuc_red_lgN	PF00317	77-151
Ribonuc_red_lgC	PF02867	154-673

Mtb Structural Proteome models

Model Number	1
Model name	Rv3051c
Template	1PEQ APDB CREDO
Template coverage	22_698
Template Identity(%)	71.7
Model coverage(%)	97.5
Normalized DOPE score	-1.507

Structure Models from Chopin

Model Number	1
Profile	a.98.1.1, c.7.1.2 Click for model details
zscore	110.17
Residue begin	1
Residue end	687

Model Number	2
Profile	c.7.1.2 Click for model details
zscore	89.37
Residue begin	154
Residue end	693

Model Number	3
Profile	a.98.1.1 Click for model details
zscore	21.95
Residue begin	1
Residue end	153

Binding pockets

STRING

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

Protein interacting with Rv3051c	Gene name	Confidence Score
Rv1981c	nrdF1	0.999
Rv3048c	nrdF2	0.999
Rv3052c	nrdI	0.999
Rv3053c	nrdH	0.997
Rv2445c	ndkA	0.98
Rv0733	adk	0.979
Rv2764c	thyA	0.976
Rv1617	pykA	0.969
Rv1617	pykA	0.969
Rv1389	gmk	0.962
Rv2783c	gpsI	0.934
Rv2783c	gpsI	0.934
Rv2783c	gpsI	0.934
Rv2697c	dut	0.934
Rv2783c	gpsI	0.934
Rv2783c	gpsI	0.934
Rv1341	Rv1341	0.927
Rv2763c	dfrA	0.916
Rv1712	cmk	0.902

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
deoxyadenosine triphosphatePubChem	0.971	491.182
deoxycytidine triphosphatePubChem	0.968	467.157
guanosine diphosphatePubChem	0.911	443.201
cytidine diphosphatePubChem	0.91	403.176
adenosine diphosphatePubChem	0.91	427.201
uridine diphosphatePubChem	0.91	404.161
dGDPPubChem	0.908	427.201
YYYPubChem	0.904	387.177
dUDPPubChem	0.902	388.162
H(+)PubChem	0.9	2.01588
adenosine triphosphatePubChem	0.9	507.181
deoxyuridine triphosphatePubChem	0.9	468.142
dADPPubChem	0.9	411.202
deuteriumPubChem	0.9	2.01588
hydroxyl radicalsPubChem	0.9	17.0073
protiumPubChem	0.9	2.01576
adenosine monophosphatePubChem	0.9	347.221
Fe(III)PubChem	0.843	55.845
magnesiumPubChem	0.734	24.305
thymidine triphosphatePubChem	0.712	482.168
deoxyguanosine triphosphatePubChem	0.71	507.181
hydroxyureaPubChem	0.706	76.0547