SInCRe - Rv2334

Tuberculist information

Gene name	cysK1
Protein function	Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2608.8
Molecular mass(da)	32752.7
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 310

	  		  	1    MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGL   60
			  	61   IKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGAD  120
			  	121  GMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTG  180
			  	181  GTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEI  240
			  	241  ITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYL  300
			  	301  STPLFADVAD

Known structures in the PDB

	PDB ID	2Q3B
	Total residue count	313
	Number of chains	1
	Method	X-RAY
	Resolution	1.8

	PDB ID	2Q3C
	Total residue count	317
	Number of chains	2
	Method	X-RAY
	Resolution	2.1

	PDB ID	2Q3D
	Total residue count	313
	Number of chains	1
	Method	X-RAY
	Resolution	2.2

	PDB ID	3ZEI
	Total residue count	310
	Number of chains	1
	Method	X-RAY
	Resolution	2

Number of amino acids : 310

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
PALP	PF00291	7-294

Mtb Structural Proteome models

Model Number	1
Model name	Rv2334_2q3b_A
Template	2Q3B APDB CREDO
Template coverage	1_300
Template Identity(%)	100.0
Model coverage(%)	96.5
Normalized DOPE score	-1.615

Model Number	2
Model name	Rv2334
Template	1Z7W APDB CREDO
Template coverage	5_308
Template Identity(%)	58.4
Model coverage(%)	97.4
Normalized DOPE score	-1.093

Structure Models from Chopin

Model Number	1
Profile	c.79.1.1 Click for model details
zscore	31.95
Residue begin	1
Residue end	310

Binding pockets

STRING

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

Protein interacting with Rv2334	Gene name	Confidence Score
Rv2335	cysE	0.999
Rv2335	cysE	0.999
Rv3340	metC	0.989
Rv2392	cysH	0.976
Rv2391	sirA	0.975
Rv2391	sirA	0.975
Rv1286	cysN	0.963
Rv1286	cysN	0.963
Rv0075	Rv0075	0.963
Rv1286	cysN	0.963
Rv1391	dfp	0.953
Rv1391	dfp	0.953
Rv1335	cysO	0.945
Rv1079	metB	0.94
Rv2294	Rv2294	0.938
Rv0848	cysK2	0.936
Rv1334	mec	0.931
Rv1336	cysM	0.929
Rv1285	cysD	0.914

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2334_2q3b_A	1	3prs_RIT_A_1001 PDB CREDO	0.648	0.126	0.589	0.003
Rv2334_2q3b_A	1	3pww_ROC_A_1001 PDB CREDO	0.713	0.071	0.556	0.005
Rv2334_2q3b_A	2	3sm2_478_A_126 PDB CREDO	0.734	0.057	0.554	0.005
Rv2334_2q3b_A	2	2aof_FRD_C_305 PDB CREDO	0.614	0.163	0.536	0.006
Rv2334_2q3b_A	1	2v0z_C41_C_1328 PDB CREDO	0.619	0.157	0.535	0.006
Rv2334_2q3b_A	1	1t46_STI_A_3 PDB CREDO	0.677	0.099	0.528	0.007
Rv2334_2q3b_A	1	1c6z_ROC_B_505 PDB CREDO	0.586	0.196	0.520	0.008
Rv2334_2q3b_A	1	2v0z_C41_O_1327 PDB CREDO	0.648	0.126	0.519	0.008
Rv2334_2q3b_A	1	1xkk_FMM_A_91 PDB CREDO	0.630	0.145	0.518	0.008
Rv2334_2q3b_A	1	3sm2_478_A_126 PDB CREDO	0.597	0.182	0.517	0.008
Rv2334_2q3b_A	1	2xkw_P1B_A_1478 PDB CREDO	0.610	0.168	0.514	0.009
Rv2334_2q3b_A	2	2v0z_C41_C_1328 PDB CREDO	0.677	0.100	0.511	0.009
Rv2334_2q3b_A	1	3el4_ROC_A_100 PDB CREDO	0.522	0.284	0.510	0.009
Rv2334_2q3b_A	1	3cs9_NIL_D_600 PDB CREDO	0.654	0.121	0.510	0.009
Rv2334_2q3b_A	2	2v0z_C41_O_1327 PDB CREDO	0.723	0.064	0.505	0.010
Rv2334_2q3b_A	1	3cs9_NIL_C_600 PDB CREDO	0.647	0.127	0.505	0.010
Rv2334_2q3b_A	2	1xkk_FMM_A_91 PDB CREDO	0.703	0.079	0.504	0.010
Rv2334_2q3b_A	1	1uwj_BAX_A_1723 PDB CREDO	0.738	0.054	0.502	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
O-acetylserinePubChem	0.993	147.129
sulphurPubChem	0.975	34.0809
O-acetyl-L-serinePubChem	0.969	147.129
half-cystinePubChem	0.968	121.158
L-serinePubChem	0.963	105.093
Nchembio861-comp5PubChem	0.957	377.33
chloridePubChem	0.933	35.453
bisulfitePubChem	0.925	80.0632
acetyl-CoAPubChem	0.924	809.571
acetatePubChem	0.918	59.044
cysteinatePubChem	0.917	121.158
H(+)PubChem	0.904	2.01588
pyridoxal phosphatePubChem	0.904	247.142
NADPPubChem	0.901	744.413
L-selenocysteinePubChem	0.9	168.053
N-(5'-phosphopyridoxyl)-d-alaninePubChem	0.9	320.236
NADP(H)PubChem	0.9	745.421
coenzyme APubChem	0.9	767.534
protiumPubChem	0.9	2.01576
acetyl coenzyme-APubChem	0.9	809.571
PPL-L-alaninePubChem	0.9	318.22
deuteriumPubChem	0.9	2.01588
DL-serinePubChem	0.9	105.093
2-methyl-2,4-pentanediolPubChem	0.9	118.174
Co-APubChem	0.9	767.534
hydroxyl radicalsPubChem	0.9	17.0073
(4s)-2-Methyl-2,4-PentanediolPubChem	0.9	118.174
sulfatePubChem	0.892	96.0626
thiosulfatePubChem	0.793	112.128
aminoacrylatePubChem	0.744	87.0773
hydron sulfatePubChem	0.7	196.157