SInCRe - Rv0321

Tuberculist information

Gene name	dcd
Protein function	Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	388.582
Molecular mass(da)	20837.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 190

	  		  	1    VLLSDRDLRAEISSGRLGIDPFDDTLVQPSSIDVRLDCLFRVFNNTRYTHIDPAKQQDEL   60
			  	61   TSLVQPVDGEPFVLHPGEFVLGSTLELFTLPDNLAGRLEGKSSLGRLGLLTHSTAGFIDP  120
			  	121  GFSGHITLELSNVANLPITLWPGMKIGQLCMLRLTSPSEHPYGSSRAGSKYQGQRGPTPS  180
			  	181  RSYQNFIRST

Known structures in the PDB

	PDB ID	2QLP
	Total residue count	966
	Number of chains	6
	Method	X-RAY
	Resolution	2.47

	PDB ID	2QXX
	Total residue count	380
	Number of chains	2
	Method	X-RAY
	Resolution	2

	PDB ID	4A6A
	Total residue count	2280
	Number of chains	12
	Method	X-RAY
	Resolution	2.9

Number of amino acids : 190

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	52-181

Mtb Structural Proteome models

Model Number	1
Model name	Rv0321_2qxx_A
Template	2QXX APDB CREDO
Template coverage	1_189
Template Identity(%)	100.0
Model coverage(%)	98.9
Normalized DOPE score	-1.315

Model Number	2
Model name	Rv0321_2qlp_A
Template	2QLP APDB CREDO
Template coverage	1_161
Template Identity(%)	100.0
Model coverage(%)	84.2
Normalized DOPE score	-1.273

Model Number	3
Model name	Rv0321
Template	1XS1 APDB CREDO
Template coverage	1_193
Template Identity(%)	43.8
Model coverage(%)	96.8
Normalized DOPE score	-0.783

Structure Models from Chopin

Model Number	1
Profile	b.85.4.1 - 2.70.40.10 Click for model details
zscore	23.67
Residue begin	1
Residue end	190

Binding pockets

STRING

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

Protein interacting with Rv0321	Gene name	Confidence Score
Rv2697c	dut	0.981
Rv2445c	ndkA	0.978
Rv2764c	thyA	0.954
Rv0002	dnaN	0.936
Rv0002	dnaN	0.936
Rv0002	dnaN	0.936
Rv0667	rpoB	0.931
Rv0667	rpoB	0.931
Rv0667	rpoB	0.931
Rv0667	rpoB	0.931
Rv0667	rpoB	0.931
Rv0667	rpoB	0.931
Rv3644c	Rv3644c	0.922
Rv1547	dnaE1	0.914
Rv1547	dnaE1	0.914
Rv1547	dnaE1	0.914
Rv1547	dnaE1	0.914
Rv3315c	cdd	0.905

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0321_2qxx_A	2	2v0z_C41_C_1328 PDB CREDO	0.791	0.028	0.584	0.003
Rv0321_2qxx_A	2	3kk6_CEL_A_701 PDB CREDO	0.809	0.021	0.568	0.004
Rv0321_2qxx_A	2	2v0z_C41_O_1327 PDB CREDO	0.798	0.025	0.546	0.005
Rv0321_2qxx_A	2	3bjw_SVR_F_502 PDB CREDO	0.757	0.044	0.531	0.007
Rv0321_2qxx_A	2	3bjw_SVR_H_504 PDB CREDO	0.755	0.045	0.530	0.007
Rv0321_2qxx_A	2	3bjw_SVR_B_501 PDB CREDO	0.751	0.047	0.527	0.007

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
magnesiumPubChem	0.983	24.305
deoxycytidine triphosphatePubChem	0.978	467.157
deoxyuridine triphosphatePubChem	0.978	468.142
pyrophosphatePubChem	0.976	177.975
thymidine triphosphatePubChem	0.968	482.168
YYYPubChem	0.968	387.177
dUMPPubChem	0.96	308.182
ammoniaPubChem	0.913	17.0305
hydroxyl radicalsPubChem	0.9	17.0073
ara-CTPPubChem	0.9	483.156
cytidine triphosphatePubChem	0.9	483.156
adenosine diphosphatePubChem	0.9	427.201
adenosine triphosphatePubChem	0.9	507.181
uridine triphosphatePubChem	0.9	484.141
H(+)PubChem	0.9	2.01588
PEG400PubChem	0.9	238.278
protiumPubChem	0.9	2.01576
deuteriumPubChem	0.9	2.01588
GACPubChem	0.798	647.621
thenoyltrifluoroacetonePubChem	0.796	222.184
SmaIPubChem	0.781	147.217