SInCRe - Rv2981c

Tuberculist information

Gene name	ddlA
Protein function	Probable D-alanine--D-alanine ligase DdlA (D-alanylalanine synthetase) (D-ala-D-ala ligase)
Functional category(tuberculist)	cell wall and cell processes
Gene location(kb)	3336.8
Molecular mass(da)	39678.2
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 373

	  		  	1    VSANDRRDRRVRVAVVFGGRSNEHAISCVSAGSILRNLDSRRFDVIAVGITPAGSWVLTD   60
			  	61   ANPDALTITNRELPQVKSGSGTELALPADPRRGGQLVSLPPGAGEVLESVDVVFPVLHGP  120
			  	121  YGEDGTIQGLLELAGVPYVGAGVLASAVGMDKEFTKKLLAADGLPVGAYAVLRPPRSTLH  180
			  	181  RQECERLGLPVFVKPARGGSSIGVSRVSSWDQLPAAVARARRHDPKVIVEAAISGRELEC  240
			  	241  GVLEMPDGTLEASTLGEIRVAGVRGREDSFYDFATKYLDDAAELDVPAKVDDQVAEAIRQ  300
			  	301  LAIRAFAAIDCRGLARVDFFLTDDGPVINEINTMPGFTTISMYPRMWAASGVDYPTLLAT  360
			  	361  MIETTLARGVGLH

Known structures in the PDB

	PDB ID	3LWB
	Total residue count	746
	Number of chains	2
	Method	X-RAY
	Resolution	2.1

Number of amino acids : 373

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
Dala_Dala_lig_N	PF01820	11-141
Dala_Dala_lig_C	PF07478	158-363

Mtb Structural Proteome models

Model Number	1
Model name	Rv2981c_3lwb_A
Template	3LWB APDB CREDO
Template coverage	7_368
Template Identity(%)	100.0
Model coverage(%)	96.8
Normalized DOPE score	-1.474

Model Number	2
Model name	Rv2981c
Template	1E4E APDB CREDO
Template coverage	3_342
Template Identity(%)	36.5
Model coverage(%)	95.7
Normalized DOPE score	-0.443

Structure Models from Chopin

Model Number	1
Profile	c.30.1.2, d.142.1.1 - 3.30.1490.20, 3.30.470.20, 3.40.50.20 Click for model details
zscore	55.45
Residue begin	8
Residue end	373

Model Number	2
Profile	d.142.1.1 Click for model details
zscore	36.68
Residue begin	158
Residue end	363

Model Number	3
Profile	c.30.1.2 Click for model details
zscore	30.59
Residue begin	8
Residue end	151

Binding pockets

STRING

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

Protein interacting with Rv2981c	Gene name	Confidence Score
Rv2157c	murF	0.998
Rv3423c	alr	0.998
Rv2157c	murF	0.998
Rv3423c	alr	0.998
Rv2157c	murF	0.998
Rv2155c	murD	0.995
Rv2155c	murD	0.995
Rv2158c	murE	0.994
Rv2158c	murE	0.994
Rv2158c	murE	0.994
Rv0482	murB	0.992
Rv0482	murB	0.992
Rv1315	murA	0.99
Rv2152c	murC	0.989
Rv2152c	murC	0.989
Rv2152c	murC	0.989
Rv2153c	murG	0.987
Rv2153c	murG	0.987
Rv2154c	ftsW	0.982
Rv0017c	rodA	0.976
Rv2150c	ftsZ	0.971
Rv2150c	ftsZ	0.971
Rv2552c	aroE	0.961
Rv2552c	aroE	0.961
Rv2156c	murX	0.96
Rv2156c	murX	0.96
Rv2165c	Rv2165c	0.959
Rv2163c	pbpB	0.955
Rv2163c	pbpB	0.955
Rv2965c	kdtB	0.949
Rv2166c	Rv2166c	0.944
Rv1338	murI	0.941
Rv2763c	dfrA	0.936

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
D-alaninePubChem	0.997	89.0932
L-alaninePubChem	0.996	89.0932
adenosine diphosphatePubChem	0.986	427.201
D-Ala-D-AlaPubChem	0.978	160.171
adenosine triphosphatePubChem	0.976	507.181
phosphatePubChem	0.912	96.9872
dialaninePubChem	0.903	160.171
deuteriumPubChem	0.9	2.01588
H(+)PubChem	0.9	2.01588
nitratePubChem	0.9	62.0049
C04877PubChem	0.9	1051.79
C04882PubChem	0.9	1193.95
protiumPubChem	0.9	2.01576
AMPPNPPubChem	0.869	506.196
D-cycloserinePubChem	0.862	102.092
magnesiumPubChem	0.802	24.305
D-cysteinePubChem	0.758	121.158
D-threoninePubChem	0.756	119.119
D-alanyl-D-lactatePubChem	0.744	161.156
D-serinePubChem	0.73	105.093
L-threoninePubChem	0.717	119.119
C12022PubChem	0.705	275.133
PHYPubChem	0.705	275.133
L-serinePubChem	0.704	105.093
half-cystinePubChem	0.7	121.158