SInCRe - Rv2455c

Tuberculist information

Gene name	Rv2455c
Protein function	Probable oxidoreductase (alpha subunit)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	2754.74
Molecular mass(da)	69150.4
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 653

	  		  	1    VDPNGSGAGPESHDAAFHAAPDRQRLENVVIRFAGDSGDGMQLTGDRFTSEAALFGNDLA   60
			  	61   TQPNYPAEIRAPAGTLPGVSSFQIQIADYDILTAGDRPDVLVAMNPAALKANIGDLPLGG  120
			  	121  MVIVNSDEFTKRNLTKVGYVTNPLESGELSDYVVHTVAMTTLTLGAVEAIGASKKDGQRA  180
			  	181  KNMFALGLLSWMYGRELEHSEAFIREKFARKPEIAEANVLALKAGWNYGETTEAFGTTYE  240
			  	241  IPPATLPPGEYRQISGNTALAYGIVVAGQLAGLPVVLGSYPITPASDILHELSKHKNFNV  300
			  	301  VTFQAEDEIGGICAALGAAYGGALGVTSTSGPGISLKSEALGLGVMTELPLLVIDVQRGG  360
			  	361  PSTGLPTKTEQADLLQALYGRNGESPVAVLAPRSPADCFETALEAVRIAVSYHTPVILLS  420
			  	421  DGAIANGSEPWRIPDVNALPPIKHTFAKPGEPFQPYARDRETLARQFAIPGTPGLEHRIG  480
			  	481  GLEAANGSGDISYEPTNHDLMVRLRQAKIDGIHVPDLEVDDPTGDAELLLIGWGSSYGPI  540
			  	541  GEACRRARRRGTKVAHAHLRYLNPFPANLGEVLRRYPKVVAPELNLGQLAQVLRGKYLVD  600
			  	601  VQSVTKVKGVSFLADEIGRFIRAALAGRLAELEQDKTLVARLSAATAGAGANG

Known structures in the PDB

No Known structures

Number of amino acids : 653

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
POR	PF01558	35-227
POR_N	PF01855	267-494

Mtb Structural Proteome models

Model Number	1
Model name	Rv2455c
Template	1YD7 APDB CREDO
Template coverage	8_192
Template Identity(%)	40.0
Model coverage(%)	28.8
Normalized DOPE score	-0.453

Model Number	2
Model name	Rv2455c.2
Template	2C3M APDB CREDO
Template coverage	2_408
Template Identity(%)	17.5
Model coverage(%)	61.3
Normalized DOPE score	-0.024

Structure Models from Chopin

Model Number	1
Profile	c.36.1.8 Click for model details
zscore	17.92
Residue begin	267
Residue end	494

Binding pockets

STRING

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

Protein interacting with Rv2455c	Gene name	Confidence Score
Rv2454c	Rv2454c	0.999
Rv0951	sucC	0.992
Rv0951	sucC	0.992
Rv0952	sucD	0.988
Rv0952	sucD	0.988
Rv2452c	Rv2452c	0.962
Rv0066c	icd2	0.96
Rv3667	acs	0.954
Rv3667	acs	0.954
Rv2453c	mobA	0.953
Rv0085	hycP	0.934
Rv0408	pta	0.919
Rv0408	pta	0.919
Rv0408	pta	0.919
Rv2215	dlaT	0.914
Rv2215	dlaT	0.914
Rv2215	dlaT	0.914

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv2455c.2	2	2bxq_IMN_A_2001 PDB CREDO	0.582	0.201	0.554	0.005
Rv2455c.2	2	2jap_J01_A_1249 PDB CREDO	0.563	0.226	0.537	0.006
Rv2455c.2	2	2jap_J01_C_1249 PDB CREDO	0.561	0.229	0.534	0.006
Rv2455c.2	2	2jap_J01_B_1249 PDB CREDO	0.559	0.232	0.532	0.007
Rv2455c.2	2	3mdv_CL6_B_506 PDB CREDO	0.532	0.270	0.532	0.007
Rv2455c.2	2	2jap_J01_D_1249 PDB CREDO	0.555	0.237	0.528	0.007
Rv2455c.2	2	1jb0_PQN_B_2002 PDB CREDO	0.551	0.242	0.524	0.008
Rv2455c.2	2	1udt_VIA_A_1000 PDB CREDO	0.633	0.142	0.524	0.008
Rv2455c.2	2	3pcq_PQN_B_842 PDB CREDO	0.549	0.246	0.522	0.008
Rv2455c.2	2	2bxk_IMN_A_2001 PDB CREDO	0.547	0.248	0.521	0.008
Rv2455c.2	2	2gl0_ADN_B_902 PDB CREDO	0.545	0.251	0.518	0.008
Rv2455c.2	2	2coi_GBN_A_420 PDB CREDO	0.516	0.294	0.516	0.009
Rv2455c.2	2	3n8w_FLP_A_701 PDB CREDO	0.516	0.294	0.516	0.009
Rv2455c.2	2	3ilt_TRU_E_800 PDB CREDO	0.515	0.296	0.515	0.009
Rv2455c.2	2	2gl0_ADN_D_904 PDB CREDO	0.540	0.259	0.513	0.009
Rv2455c.2	2	2coj_GBN_B_420 PDB CREDO	0.539	0.260	0.513	0.009
Rv2455c.2	2	3ik6_HCZ_B_800 PDB CREDO	0.537	0.262	0.511	0.009
Rv2455c.2	2	3jwq_VIA_C_901 PDB CREDO	0.536	0.264	0.510	0.009
Rv2455c.2	2	1jlb_NVP_A_999 PDB CREDO	0.613	0.163	0.508	0.010
Rv2455c.2	2	2bxe_1FL_B_2001 PDB CREDO	0.532	0.270	0.506	0.010
Rv2455c.2	2	3rf4_FUN_A_201 PDB CREDO	0.532	0.270	0.506	0.010
Rv2455c.2	2	3s7s_EXM_A_601 PDB CREDO	0.555	0.237	0.504	0.010
Rv2455c.2	2	3ijx_HCZ_B_800 PDB CREDO	0.529	0.273	0.504	0.010
Rv2455c.2	2	3rf4_FUN_C_203 PDB CREDO	0.529	0.273	0.504	0.010
Rv2455c.2	2	4cox_IMN_D_701 PDB CREDO	0.580	0.203	0.503	0.010
Rv2455c.2	2	1pbc_BHA_A_396 PDB CREDO	0.607	0.170	0.503	0.010
Rv2455c.2	2	1iol_EST_A_400 PDB CREDO	0.554	0.239	0.503	0.010
Rv2455c.2	2	3rf4_FUN_B_202 PDB CREDO	0.528	0.275	0.502	0.011
Rv2455c.2	2	3tvx_PNX_A_902 PDB CREDO	0.502	0.315	0.502	0.011
Rv2455c.2	2	2a1h_GBN_B_501 PDB CREDO	0.555	0.237	0.501	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
alpha-ketoglutaratePubChem	0.95	146.098
succinyl-CoAPubChem	0.941	867.607
acetyl-CoAPubChem	0.933	809.571
adenosine monophosphatePubChem	0.9	347.221
pyruvic acidPubChem	0.9	88.0621
l-(+)-CitramalatePubChem	0.9	148.114
carbon dioxidePubChem	0.9	44.0095
L-alaninePubChem	0.9	89.0932
acetatePubChem	0.9	59.044
deuteriumPubChem	0.9	2.01588
acetyl coenzyme-APubChem	0.9	809.571
acetyl phosphatePubChem	0.9	140.032
pyrophosphatePubChem	0.9	177.975
Co-APubChem	0.9	767.534
adenosine triphosphatePubChem	0.9	507.181
citramalatePubChem	0.9	148.114
protiumPubChem	0.9	2.01576
coenzyme APubChem	0.9	767.534
acetoacetyl-CoAPubChem	0.9	851.607
glutamatePubChem	0.9	147.129
acetoacetyl-S-CoAPubChem	0.9	851.607
phosphatePubChem	0.9	96.9872
H(+)PubChem	0.9	2.01588