SInCRe - Rv1908c

Tuberculist information

Gene name	katG
Protein function	Catalase-peroxidase-peroxynitritase T KatG
Functional category(tuberculist)	virulence,detoxification and adaptaion
Gene location(kb)	2153.89
Molecular mass(da)	80572.8
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 740

	  		  	1    VPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQNPAVADPMGA   60
			  	61   AFDYAAEVATIDVDALTRDIEEVMTTSQPWWPADYGHYGPLFIRMAWHAAGTYRIHDGRG  120
			  	121  GAGGGMQRFAPLNSWPDNASLDKARRLLWPVKKKYGKKLSWADLIVFAGNCALESMGFKT  180
			  	181  FGFGFGRVDQWEPDEVYWGKEATWLGDERYSGKRDLENPLAAVQMGLIYVNPEGPNGNPD  240
			  	241  PMAAAVDIRETFRRMAMNDVETAALIVGGHTFGKTHGAGPADLVGPEPEAAPLEQMGLGW  300
			  	301  KSSYGTGTGKDAITSGIEVVWTNTPTKWDNSFLEILYGYEWELTKSPAGAWQYTAKDGAG  360
			  	361  AGTIPDPFGGPGRSPTMLATDLSLRVDPIYERITRRWLEHPEELADEFAKAWYKLIHRDM  420
			  	421  GPVARYLGPLVPKQTLLWQDPVPAVSHDLVGEAEIASLKSQIRASGLTVSQLVSTAWAAA  480
			  	481  SSFRGSDKRGGANGGRIRLQPQVGWEVNDPDGDLRKVIRTLEEIQESFNSAAPGNIKVSF  540
			  	541  ADLVVLGGCAAIEKAAKAAGHNITVPFTPGRTDASQEQTDVESFAVLEPKADGFRNYLGK  600
			  	601  GNPLPAEYMLLDKANLLTLSAPEMTVLVGGLRVLGANYKRLPLGVFTEASESLTNDFFVN  660
			  	661  LLDMGITWEPSPADDGTYQGKDGSGKVKWTGSRVDLVFGSNSELRALVEVYGADDAQPKF  720
			  	721  VQDFVAAWDKVMNLDRFDVR

Known structures in the PDB

	PDB ID	1SJ2
	Total residue count	1486
	Number of chains	2
	Method	X-RAY
	Resolution	2.41

	PDB ID	2CCA
	Total residue count	1480
	Number of chains	2
	Method	X-RAY
	Resolution	2

	PDB ID	2CCD
	Total residue count	1480
	Number of chains	2
	Method	X-RAY
	Resolution	2.1

	PDB ID	4C50
	Total residue count	1480
	Number of chains	2
	Method	X-RAY
	Resolution	2.5

	PDB ID	4C51
	Total residue count	1480
	Number of chains	2
	Method	X-RAY
	Resolution	3.1

Number of amino acids : 740

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
peroxidase	PF00141	77-400
peroxidase	PF00141	405-714

Mtb Structural Proteome models

Model Number	1
Model name	Rv1908c_2cca_A
Template	2CCA APDB CREDO
Template coverage	26_740
Template Identity(%)	100.0
Model coverage(%)	96.5
Normalized DOPE score	-1.468

Model Number	2
Model name	Rv1908c
Template	2CCA APDB CREDO
Template coverage	27_740
Template Identity(%)	100.0
Model coverage(%)	96.4
Normalized DOPE score	-1.194

Structure Models from Chopin

Model Number	1
Profile	a.93.1.3 - 1.10.420.10, 1.10.520.10 Click for model details
zscore	45.37
Residue begin	1
Residue end	324

Model Number	2
Profile	a.93.1.3 Click for model details
zscore	21.98
Residue begin	1
Residue end	324

Model Number	3
Profile	a.93.1.3 Click for model details
zscore	21.98
Residue begin	405
Residue end	728

Model Number	4
Profile	1.10.420.10 Click for model details
zscore	8.56
Residue begin	228
Residue end	400

Binding pockets

STRING

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

Protein interacting with Rv1908c	Gene name	Confidence Score
Rv3846	sodA	0.996
Rv1909c	furA	0.996
Rv3846	sodA	0.996
Rv0432	sodC	0.992
Rv0117	oxyS	0.99
Rv0117	oxyS	0.99
Rv2678c	hemE	0.976
Rv2428	ahpC	0.976
Rv0682	rpsL	0.971
Rv0440	groEL2	0.952
Rv0667	rpoB	0.951
Rv0667	rpoB	0.951
Rv0667	rpoB	0.951
Rv0667	rpoB	0.951
Rv0667	rpoB	0.951
Rv0667	rpoB	0.951
Rv0006	gyrA	0.938
Rv0006	gyrA	0.938
Rv3914	trxC	0.929
Rv1854c	ndh	0.922
Rv2429	ahpD	0.918
Rv2043c	pncA	0.918
Rv1600	hisC1	0.911
Rv3375	amiD	0.91
Rv2363	amiA2	0.91
Rv3175	Rv3175	0.907
Rv1263	amiB2	0.907
Rv3838c	pheA	0.904
Rv3838c	pheA	0.904
Rv2888c	amiC	0.902
Rv3772	hisC2	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1908c_2cca_A	15	1lhu_EST_A_301 PDB CREDO	0.615	0.161	0.594	0.002
Rv1908c_2cca_A	15	3k54_1N1_A_1 PDB CREDO	0.648	0.126	0.583	0.003
Rv1908c_2cca_A	15	3q70_RIT_A_2001 PDB CREDO	0.777	0.034	0.581	0.003
Rv1908c_2cca_A	15	3tne_RIT_A_401 PDB CREDO	0.705	0.077	0.578	0.003
Rv1908c_2cca_A	8	3r9c_ECL_A_452 PDB CREDO	0.621	0.155	0.571	0.004
Rv1908c_2cca_A	15	3rif_IVM_D_402 PDB CREDO	0.613	0.164	0.571	0.004
Rv1908c_2cca_A	1	1xkk_FMM_A_91 PDB CREDO	0.795	0.027	0.570	0.004
Rv1908c_2cca_A	15	3rif_IVM_A_402 PDB CREDO	0.612	0.165	0.570	0.004
Rv1908c_2cca_A	15	3rif_IVM_B_403 PDB CREDO	0.612	0.165	0.570	0.004
Rv1908c_2cca_A	15	3ria_IVM_C_349 PDB CREDO	0.611	0.166	0.569	0.004
Rv1908c_2cca_A	15	1lhv_NOG_A_301 PDB CREDO	0.670	0.106	0.567	0.004
Rv1908c_2cca_A	15	3ri5_IVM_C_350 PDB CREDO	0.607	0.171	0.566	0.004
Rv1908c_2cca_A	15	1jg2_ADN_A_500 PDB CREDO	0.563	0.227	0.563	0.004
Rv1908c_2cca_A	15	3tne_RIT_B_401 PDB CREDO	0.684	0.093	0.561	0.004
Rv1908c_2cca_A	15	2fum_MIX_A_539 PDB CREDO	0.601	0.177	0.560	0.004
Rv1908c_2cca_A	8	1d4f_ADN_A_601 PDB CREDO	0.582	0.201	0.559	0.004
Rv1908c_2cca_A	8	1ie4_T44_A_128 PDB CREDO	0.582	0.201	0.559	0.004
Rv1908c_2cca_A	8	3qlg_1N1_A_601 PDB CREDO	0.599	0.180	0.554	0.005
Rv1908c_2cca_A	15	3rif_IVM_A_403 PDB CREDO	0.594	0.187	0.553	0.005
Rv1908c_2cca_A	8	3g5d_1N1_B_1 PDB CREDO	0.597	0.183	0.551	0.005
Rv1908c_2cca_A	15	3ria_IVM_A_348 PDB CREDO	0.660	0.115	0.550	0.005
Rv1908c_2cca_A	15	3rif_IVM_E_402 PDB CREDO	0.660	0.115	0.550	0.005
Rv1908c_2cca_A	15	3ria_IVM_C_350 PDB CREDO	0.659	0.116	0.549	0.005
Rv1908c_2cca_A	15	3rhw_IVM_B_349 PDB CREDO	0.657	0.117	0.548	0.005
Rv1908c_2cca_A	15	3rhw_IVM_B_348 PDB CREDO	0.657	0.118	0.547	0.005
Rv1908c_2cca_A	15	3rhw_IVM_D_348 PDB CREDO	0.657	0.118	0.547	0.005
Rv1908c_2cca_A	15	3ria_IVM_E_348 PDB CREDO	0.657	0.118	0.547	0.005
Rv1908c_2cca_A	8	3qlg_1N1_B_601 PDB CREDO	0.592	0.189	0.547	0.005
Rv1908c_2cca_A	15	3ri5_IVM_B_349 PDB CREDO	0.655	0.119	0.546	0.005
Rv1908c_2cca_A	8	2y7j_B49_B_1294 PDB CREDO	0.546	0.249	0.546	0.005
Rv1908c_2cca_A	15	1jg3_ADN_A_500 PDB CREDO	0.607	0.171	0.545	0.005
Rv1908c_2cca_A	15	3rhw_IVM_D_349 PDB CREDO	0.654	0.121	0.545	0.005
Rv1908c_2cca_A	8	3g5d_1N1_A_1 PDB CREDO	0.589	0.192	0.544	0.005
Rv1908c_2cca_A	8	4dta_ADN_A_401 PDB CREDO	0.674	0.102	0.544	0.005
Rv1908c_2cca_A	8	2zva_1N1_A_513 PDB CREDO	0.567	0.221	0.544	0.005
Rv1908c_2cca_A	15	3ri5_IVM_D_349 PDB CREDO	0.651	0.124	0.543	0.006
Rv1908c_2cca_A	15	2fum_MIX_C_2539 PDB CREDO	0.701	0.080	0.541	0.006
Rv1908c_2cca_A	8	3lfa_1N1_A_361 PDB CREDO	0.586	0.196	0.540	0.006
Rv1908c_2cca_A	1	3sm2_478_A_126 PDB CREDO	0.713	0.071	0.538	0.006
Rv1908c_2cca_A	8	1sn5_T3_C_601 PDB CREDO	0.584	0.198	0.538	0.006
Rv1908c_2cca_A	15	3bbt_FMM_D_91 PDB CREDO	0.554	0.239	0.535	0.006
Rv1908c_2cca_A	15	3rhw_IVM_A_348 PDB CREDO	0.641	0.134	0.534	0.006
Rv1908c_2cca_A	15	2gqg_1N1_A_501 PDB CREDO	0.572	0.214	0.533	0.007
Rv1908c_2cca_A	15	3ria_IVM_E_349 PDB CREDO	0.639	0.135	0.533	0.007
Rv1908c_2cca_A	15	3ri5_IVM_A_349 PDB CREDO	0.639	0.136	0.532	0.007
Rv1908c_2cca_A	15	3oct_1N1_A_663 PDB CREDO	0.532	0.270	0.532	0.007
Rv1908c_2cca_A	16	2xkw_P1B_A_1478 PDB CREDO	0.837	0.013	0.531	0.007
Rv1908c_2cca_A	15	2fum_MIX_D_3539 PDB CREDO	0.549	0.246	0.530	0.007
Rv1908c_2cca_A	15	2ito_IRE_A_2020 PDB CREDO	0.634	0.141	0.528	0.007
Rv1908c_2cca_A	8	3oht_1N1_A_1000 PDB CREDO	0.616	0.161	0.527	0.007
Rv1908c_2cca_A	15	3ri5_IVM_E_349 PDB CREDO	0.681	0.096	0.525	0.007
Rv1908c_2cca_A	15	3kw2_ADN_A_300 PDB CREDO	0.605	0.173	0.524	0.008
Rv1908c_2cca_A	15	2ity_IRE_A_2020 PDB CREDO	0.678	0.098	0.523	0.008
Rv1908c_2cca_A	8	1d4f_ADN_D_604 PDB CREDO	0.610	0.167	0.522	0.008
Rv1908c_2cca_A	1	2xkw_P1B_A_1478 PDB CREDO	0.705	0.077	0.519	0.008
Rv1908c_2cca_A	8	1d4f_ADN_B_602 PDB CREDO	0.606	0.172	0.519	0.008
Rv1908c_2cca_A	8	2uxo_TAC_B_1211 PDB CREDO	0.518	0.290	0.518	0.008
Rv1908c_2cca_A	15	3d91_REM_A_350 PDB CREDO	0.714	0.071	0.518	0.008
Rv1908c_2cca_A	15	2gqg_1N1_B_502 PDB CREDO	0.570	0.217	0.515	0.009
Rv1908c_2cca_A	15	1mx1_THA_C_3 PDB CREDO	0.533	0.269	0.514	0.009
Rv1908c_2cca_A	15	3sxr_1N1_A_1 PDB CREDO	0.664	0.112	0.512	0.009
Rv1908c_2cca_A	15	1fmo_ADN_E_351 PDB CREDO	0.690	0.089	0.511	0.009
Rv1908c_2cca_A	15	1ya3_STR_B_2001 PDB CREDO	0.511	0.302	0.511	0.009
Rv1908c_2cca_A	15	2x9g_LYA_B_1270 PDB CREDO	0.546	0.249	0.510	0.009
Rv1908c_2cca_A	15	2x9g_LYA_C_1270 PDB CREDO	0.510	0.303	0.510	0.009
Rv1908c_2cca_A	15	3oht_1N1_B_1000 PDB CREDO	0.528	0.275	0.510	0.009
Rv1908c_2cca_A	8	2ity_IRE_A_2020 PDB CREDO	0.531	0.272	0.510	0.009
Rv1908c_2cca_A	15	3d91_REM_B_350 PDB CREDO	0.702	0.079	0.510	0.009
Rv1908c_2cca_A	15	2h42_VIA_A_901 PDB CREDO	0.528	0.276	0.510	0.009
Rv1908c_2cca_A	16	3kk6_CEL_A_701 PDB CREDO	0.823	0.017	0.510	0.009
Rv1908c_2cca_A	15	3kw2_ADN_B_300 PDB CREDO	0.660	0.115	0.509	0.010
Rv1908c_2cca_A	8	2itz_IRE_A_2021 PDB CREDO	0.509	0.305	0.509	0.010
Rv1908c_2cca_A	8	3ti1_B49_A_299 PDB CREDO	0.550	0.244	0.508	0.010
Rv1908c_2cca_A	8	3glq_RAB_A_602 PDB CREDO	0.529	0.274	0.508	0.010
Rv1908c_2cca_A	15	1etr_MIT_H_1 PDB CREDO	0.581	0.203	0.508	0.010
Rv1908c_2cca_A	8	3n58_ADN_C_500 PDB CREDO	0.528	0.275	0.507	0.010
Rv1908c_2cca_A	15	1jg3_ADN_B_550 PDB CREDO	0.632	0.143	0.507	0.010
Rv1908c_2cca_A	15	2x9g_LYA_D_1270 PDB CREDO	0.507	0.308	0.507	0.010
Rv1908c_2cca_A	15	2q1v_PDN_A_248 PDB CREDO	0.505	0.311	0.505	0.010
Rv1908c_2cca_A	8	1uay_ADN_A_1001 PDB CREDO	0.653	0.121	0.504	0.010
Rv1908c_2cca_A	15	2h42_VIA_B_902 PDB CREDO	0.541	0.257	0.504	0.010
Rv1908c_2cca_A	1	3bjw_SVR_B_501 PDB CREDO	0.702	0.080	0.503	0.010
Rv1908c_2cca_A	1	3oxc_ROC_A_401 PDB CREDO	0.514	0.296	0.503	0.010
Rv1908c_2cca_A	15	1uwh_BAX_A_1723 PDB CREDO	0.653	0.122	0.503	0.010
Rv1908c_2cca_A	8	1ie4_T44_B_328 PDB CREDO	0.544	0.252	0.503	0.010
Rv1908c_2cca_A	15	1uwh_BAX_B_1723 PDB CREDO	0.652	0.123	0.502	0.011
Rv1908c_2cca_A	15	3spk_TPV_A_100 PDB CREDO	0.537	0.263	0.501	0.011
Rv1908c_2cca_A	8	1xwf_ADN_A_433 PDB CREDO	0.619	0.157	0.500	0.011
Rv1908c_2cca_A	8	3cs8_BRL_A_503 PDB CREDO	0.521	0.286	0.500	0.011
Rv1908c_2cca_A	15	1p93_DEX_B_2999 PDB CREDO	0.518	0.291	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
hydrogen peroxidePubChem	0.999	34.0147
isoniazidPubChem	0.999	137.139
hydroxyl radicalsPubChem	0.972	17.0073
hemePubChem	0.96	616.487
molecular oxygenPubChem	0.944	31.9988
ethionamidePubChem	0.942	166.243
compound IPubChem	0.936	277.317
peracetic acidPubChem	0.927	76.0514
glycerolPubChem	0.917	92.0938
ascorbic acidPubChem	0.911	176.124
deuteriumPubChem	0.908	2.01588
L-phenylalaninePubChem	0.9	165.189
protiumPubChem	0.9	2.01576
benzeneacetamidePubChem	0.9	135.163
H(+)PubChem	0.9	2.01588
tert-butyl hydroperoxidePubChem	0.882	90.121
rifampin and isoniazidPubChem	0.854	960.08
3-amino-1,2,4-triazolePubChem	0.851	84.08
o-dianisidinePubChem	0.821	244.289
rifampicinPubChem	0.821	822.94
potassium ferricyanidePubChem	0.817	329.244
superoxidePubChem	0.804	33.0067
peroxynitritePubChem	0.803	62.0049
cyanidePubChem	0.788	27.0253
pyrogallolPubChem	0.788	126.11
MABAPubChem	0.787	137.136
2-methyl-2,4-pentanediolPubChem	0.779	118.174
ethambutolPubChem	0.772	204.31
chloridePubChem	0.771	35.453
pyrazinamidePubChem	0.769	123.113
dithionitePubChem	0.756	128.128
Fe(III)PubChem	0.756	55.845
streptomycinPubChem	0.748	581.574
pyridine hemochromePubChem	0.745	774.687
guaiacolPubChem	0.74	124.137
paraquatPubChem	0.738	257.159
potassium cyanidePubChem	0.728	65.1157
phosphatePubChem	0.725	96.9872
Na(+)PubChem	0.718	22.9898
cumene hydroperoxidePubChem	0.718	152.19
isonicotinic acidPubChem	0.711	123.109
DB08638PubChem	0.707	222.24
(4s)-2-Methyl-2,4-PentanediolPubChem	0.707	118.174
adenosine diphosphatePubChem	0.707	427.201
Tris-HClPubChem	0.707	121.135
MRDPubChem	0.707	118.174
hydron diphosphatePubChem	0.707	391.981
adenosine monophosphatePubChem	0.707	347.221
azidePubChem	0.703	42.0201
compound IIIPubChem	0.702	335.4
menadionePubChem	0.702	172.18