SInCRe - Rv1286

Tuberculist information

Gene name	cysN
Protein function	Probable bifunctional enzyme CysN/CysC: sulfate adenyltransferase (subunit 1) + adenylylsulfate kinase
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1438.91
Molecular mass(da)	67838.9
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 614

	  		  	1    MTTLLRLATAGSVDDGKSTLIGRLLYDSKAVMEDQWASVEQTSKDRGHDYTDLALVTDGL   60
			  	61   RAEREQGITIDVAYRYFATPKRKFIIADTPGHIQYTRNMVTGASTAQLVIVLVDARHGLL  120
			  	121  EQSRRHAFLASLLGIRHLVLAVNKMDLLGWDQEKFDAIRDEFHAFAARLDVQDVTSIPIS  180
			  	181  ALHGDNVVTKSDQTPWYEGPSLLSHLEDVYIAGDRNMVDVRFPVQYVIRPHTLEHQDHRS  240
			  	241  YAGTVASGVMRSGDEVVVLPIGKTTRITAIDGPNGPVAEAFPPMAVSVRLADDIDISRGD  300
			  	301  MIARTHNQPRITQEFDATVCWMADNAVLEPGRDYVVKHTTRTVRARIAGLDYRLDVNTLH  360
			  	361  RDKTATALKLNELGRVSLRTQVPLLLDEYTRNASTGSFILIDPDTNGTVAAGMVLRDVSA  420
			  	421  RTPSPNTVRHRSLVTAQDRPPRGKTVWFTGLSGSGKSSVAMLVERKLLEKGISAYVLDGD  480
			  	481  NLRHGLNADLGFSMADRAENLRRLSHVATLLADCGHLVLVPAISPLAEHRALARKVHADA  540
			  	541  GIDFFEVFCDTPLQDCERRDPKGLYAKARAGEITHFTGIDSPYQRPKNPDLRLTPDRSID  600
			  	601  EQAQEVIDLLESSS

Known structures in the PDB

	PDB ID	4BZQ
	Total residue count	346
	Number of chains	2
	Method	X-RAY
	Resolution	2.1

	PDB ID	4BZX
	Total residue count	346
	Number of chains	2
	Method	X-RAY
	Resolution	1.7

Number of amino acids : 614

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
GTP_EFTU	PF00009	2-259
GTP_EFTU_D2	PF03144	239-303
APS_kinase	PF01583	442-599

Mtb Structural Proteome models

Model Number	1
Model name	Rv1286.3
Template	2AX4 APDB CREDO
Template coverage	51_224
Template Identity(%)	50.9
Model coverage(%)	28.0
Normalized DOPE score	-1.586

Model Number	2
Model name	Rv1286
Template	1ZUN BPDB CREDO
Template coverage	24_433
Template Identity(%)	55.1
Model coverage(%)	66.9
Normalized DOPE score	-0.405

Structure Models from Chopin

Model Number	1
Profile	c.37.1.4 - 3.40.50.300 Click for model details
zscore	37
Residue begin	442
Residue end	599

Model Number	2
Profile	2.40.30.10, 3.40.50.300 Click for model details
zscore	30.04
Residue begin	1
Residue end	576

Model Number	3
Profile	b.44.1.1 Click for model details
zscore	11.27
Residue begin	306
Residue end	429

Model Number	4
Profile	c.37.1.8 - 3.40.50.300 Click for model details
zscore	9.5
Residue begin	2
Residue end	257

Model Number	5
Profile	b.43.3.1 - 2.40.30.10 Click for model details
zscore	8.74
Residue begin	239
Residue end	303

Binding pockets

STRING

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

Protein interacting with Rv1286	Gene name	Confidence Score
Rv1285	cysD	0.999
Rv2392	cysH	0.999
Rv2400c	subI	0.998
Rv2398c	cysW	0.995
Rv2131c	cysQ	0.994
Rv2399c	cysT	0.992
Rv2397c	cysA1	0.966
Rv2397c	cysA1	0.966
Rv2847c	cysG	0.964
Rv2847c	cysG	0.964
Rv2334	cysK1	0.963
Rv2391	sirA	0.956
Rv2391	sirA	0.956
Rv2335	cysE	0.946
Rv2335	cysE	0.946
Rv1336	cysM	0.937

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1286.3	1	1xkk_FMM_A_91 PDB CREDO	0.735	0.057	0.649	0.001
Rv1286.3	1	2xkw_P1B_A_1478 PDB CREDO	0.694	0.086	0.628	0.001
Rv1286.3	1	3sm2_478_A_126 PDB CREDO	0.658	0.117	0.611	0.002
Rv1286.3	1	1t46_STI_A_3 PDB CREDO	0.715	0.070	0.599	0.002
Rv1286.3	1	3bjw_SVR_B_501 PDB CREDO	0.668	0.107	0.590	0.003
Rv1286.3	1	3bjw_SVR_E_503 PDB CREDO	0.715	0.070	0.583	0.003
Rv1286.3	1	3bjw_SVR_H_504 PDB CREDO	0.660	0.115	0.582	0.003
Rv1286.3	1	3bjw_SVR_F_502 PDB CREDO	0.659	0.115	0.582	0.003
Rv1286.3	1	3gp0_NIL_A_1 PDB CREDO	0.663	0.112	0.570	0.004
Rv1286.3	1	1c6z_ROC_B_505 PDB CREDO	0.586	0.196	0.558	0.004
Rv1286.3	1	1uwj_BAX_A_1723 PDB CREDO	0.765	0.040	0.558	0.004
Rv1286.3	1	2pym_1UN_A_1001 PDB CREDO	0.575	0.210	0.547	0.005
Rv1286.3	1	2qak_1UN_A_1001 PDB CREDO	0.573	0.213	0.545	0.005
Rv1286.3	1	3b0w_DGX_B_1 PDB CREDO	0.722	0.065	0.542	0.006
Rv1286.3	1	2pyn_1UN_A_1001 PDB CREDO	0.569	0.218	0.542	0.006
Rv1286.3	1	2q63_1UN_A_1001 PDB CREDO	0.569	0.219	0.541	0.006
Rv1286.3	1	2q64_1UN_B_1001 PDB CREDO	0.568	0.220	0.541	0.006
Rv1286.3	1	2qxs_RAL_A_600 PDB CREDO	0.668	0.108	0.530	0.007
Rv1286.3	1	2v0z_C41_C_1328 PDB CREDO	0.569	0.218	0.529	0.007
Rv1286.3	1	3kk6_CEL_A_701 PDB CREDO	0.598	0.181	0.528	0.007
Rv1286.3	1	2qxs_RAL_B_600 PDB CREDO	0.663	0.112	0.527	0.007
Rv1286.3	1	3cs9_NIL_C_600 PDB CREDO	0.626	0.150	0.524	0.008
Rv1286.3	1	1ya4_CTX_A_1 PDB CREDO	0.521	0.286	0.521	0.008
Rv1286.3	1	3cs9_NIL_D_600 PDB CREDO	0.622	0.154	0.521	0.008
Rv1286.3	1	3frq_ERY_A_195 PDB CREDO	0.753	0.046	0.519	0.008
Rv1286.3	1	3el4_ROC_A_100 PDB CREDO	0.540	0.259	0.514	0.009
Rv1286.3	1	1uwj_BAX_B_1723 PDB CREDO	0.767	0.039	0.514	0.009
Rv1286.3	1	2v0z_C41_O_1327 PDB CREDO	0.597	0.183	0.513	0.009
Rv1286.3	1	3ufn_ROC_A_401 PDB CREDO	0.596	0.183	0.513	0.009
Rv1286.3	1	3cs9_NIL_A_600 PDB CREDO	0.659	0.116	0.509	0.010
Rv1286.3	1	3cs9_NIL_B_600 PDB CREDO	0.638	0.137	0.506	0.010
Rv1286.3	1	3ndt_ROC_D_100 PDB CREDO	0.516	0.294	0.504	0.010
Rv1286.3	1	2nnk_ROC_A_401 PDB CREDO	0.515	0.295	0.503	0.010
Rv1286.3	1	1hwk_117_B_1 PDB CREDO	0.708	0.075	0.502	0.011
Rv1286.3	1	1uwh_BAX_A_1723 PDB CREDO	0.796	0.026	0.502	0.011
Rv1286.3	1	1uwh_BAX_B_1723 PDB CREDO	0.795	0.026	0.501	0.011
Rv1286.3	1	3kk6_CEL_B_1701 PDB CREDO	0.631	0.144	0.500	0.011

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
adenosine 5'-phosphosulfatePubChem	0.991	427.284
sulfatePubChem	0.983	96.0626
3'-phosphoadenosine 5'-phosphosulfatePubChem	0.978	507.264
adenosine diphosphatePubChem	0.949	427.201
adenosine triphosphatePubChem	0.917	507.181
pyrophosphatePubChem	0.906	177.975
H(+)PubChem	0.9	2.01588
protiumPubChem	0.9	2.01576
adenosine 5'-phosphoselenatePubChem	0.9	474.179
AR-1H5400PubChem	0.9	507.264
adenosine 5'-sulphatophosphatePubChem	0.9	425.269
deuteriumPubChem	0.9	2.01588