SInCRe - Rv3240c

Tuberculist information

Gene name	secA1
Protein function	Probable preprotein translocase SecA1 1 subunit
Functional category(tuberculist)	cell wall and cell processes
Gene location(kb)	3617.68
Molecular mass(da)	105990
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 949

	  		  	1    VLSKLLRLGEGRMVKRLKKVADYVGTLSDDVEKLTDAELRAKTDEFKRRLADQKNPETLD   60
			  	61   DLLPEAFAVAREAAWRVLDQRPFDVQVMGAAALHLGNVAEMKTGEGKTLTCVLPAYLNAL  120
			  	121  AGNGVHIVTVNDYLAKRDSEWMGRVHRFLGLQVGVILATMTPDERRVAYNADITYGTNNE  180
			  	181  FGFDYLRDNMAHSLDDLVQRGHHYAIVDEVDSILIDEARTPLIISGPADGASNWYTEFAR  240
			  	241  LAPLMEKDVHYEVDLRKRTVGVHEKGVEFVEDQLGIDNLYEAANSPLVSYLNNALKAKEL  300
			  	301  FSRDKDYIVRDGEVLIVDEFTGRVLIGRRYNEGMHQAIEAKEHVEIKAENQTLATITLQN  360
			  	361  YFRLYDKLAGMTGTAQTEAAELHEIYKLGVVSIPTNMPMIREDQSDLIYKTEEAKYIAVV  420
			  	421  DDVAERYAKGQPVLIGTTSVERSEYLSRQFTKRRIPHNVLNAKYHEQEATIIAVAGRRGG  480
			  	481  VTVATNMAGRGTDIVLGGNVDFLTDQRLRERGLDPVETPEEYEAAWHSELPIVKEEASKE  540
			  	541  AKEVIEAGGLYVLGTERHESRRIDNQLRGRSGRQGDPGESRFYLSLGDELMRRFNGAALE  600
			  	601  TLLTRLNLPDDVPIEAKMVTRAIKSAQTQVEQQNFEVRKNVLKYDEVMNQQRKVIYAERR  660
			  	661  RILEGENLKDQALDMVRDVITAYVDGATGEGYAEDWDLDALWTALKTLYPVGITADSLTR  720
			  	721  KDHEFERDDLTREELLEALLKDAERAYAAREAELEEIAGEGAMRQLERNVLLNVIDRKWR  780
			  	781  EHLYEMDYLKEGIGLRAMAQRDPLVEYQREGYDMFMAMLDGMKEESVGFLFNVTVEAVPA  840
			  	841  PPVAPAAEPAELAEFAAAAAAAAQQRSAVDGGARERAPSALRAKGVASESPALTYSGPAE  900
			  	901  DGSAQVQRNGGGAHKTPAGVPAGASRRERREAARRQGRGAKPPKSVKKR

Known structures in the PDB

	PDB ID	1NKT
	Total residue count	1844
	Number of chains	2
	Method	X-RAY
	Resolution	2.6

	PDB ID	1NL3
	Total residue count	1844
	Number of chains	2
	Method	X-RAY
	Resolution	2.8

Number of amino acids : 949

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
SecA_DEAD	PF07517	2-383
SecA_PP_bind	PF01043	227-339
SecA_SW	PF07516	613-835

Mtb Structural Proteome models

Model Number	1
Model name	Rv3240c_1nkt_A
Template	1NKT APDB CREDO
Template coverage	0_835
Template Identity(%)	100.0
Model coverage(%)	88.0
Normalized DOPE score	-1.283

Model Number	2
Model name	Rv3240c
Template	1NKT APDB CREDO
Template coverage	1_835
Template Identity(%)	99.9
Model coverage(%)	87.9
Normalized DOPE score	-0.99

Structure Models from Chopin

Model Number	1
Profile	a.162.1.1, a.172.1.1, c.37.1.19 - 1.10.3060.10, 3.40.50.300, 3.90.1440.10 Click for model details
zscore	131.33
Residue begin	1
Residue end	835

Model Number	2
Profile	a.172.1.1 Click for model details
zscore	39.87
Residue begin	616
Residue end	835

Model Number	3
Profile	3.90.1440.10 Click for model details
zscore	34.07
Residue begin	227
Residue end	349

Binding pockets

STRING

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

Protein interacting with Rv3240c	Gene name	Confidence Score
Rv0732	secY	0.999
Rv3846	sodA	0.991
Rv3846	sodA	0.991
Rv2587c	secD	0.98
Rv2587c	secD	0.98
Rv2586c	secF	0.98
Rv2586c	secF	0.98
Rv0440	groEL2	0.959
Rv2890c	rpsB	0.949
Rv1440	secG	0.932
Rv1821	secA2	0.93
Rv1821	secA2	0.93
Rv1821	secA2	0.93
Rv2916c	ffh	0.928
Rv2916c	ffh	0.928
Rv2916c	ffh	0.928
Rv3610c	ftsH	0.926
Rv3610c	ftsH	0.926
Rv3610c	ftsH	0.926
Rv3417c	groEL1	0.925
Rv1633	uvrB	0.925
Rv1633	uvrB	0.925
Rv1633	uvrB	0.925
Rv1633	uvrB	0.925
Rv0638	secE1	0.923
Rv3241c	Rv3241c	0.923
Rv1653	argJ	0.92
Rv3455c	truA	0.908
Rv3014c	ligA	0.901
Rv3014c	ligA	0.901
Rv3014c	ligA	0.901
Rv3014c	ligA	0.901
Rv3014c	ligA	0.901

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3240c_1nkt_A	14	3n58_ADN_A_500 PDB CREDO	0.574	0.212	0.574	0.003
Rv3240c_1nkt_A	14	1d4f_ADN_C_603 PDB CREDO	0.532	0.270	0.532	0.007
Rv3240c_1nkt_A	14	3g1u_ADN_C_438 PDB CREDO	0.584	0.199	0.523	0.008
Rv3240c_1nkt_A	14	3ce6_ADN_B_500 PDB CREDO	0.583	0.200	0.523	0.008
Rv3240c_1nkt_A	14	3ce6_ADN_D_500 PDB CREDO	0.583	0.200	0.523	0.008
Rv3240c_1nkt_A	14	3ce6_ADN_A_500 PDB CREDO	0.580	0.204	0.520	0.008
Rv3240c_1nkt_A	14	3ce6_ADN_C_500 PDB CREDO	0.579	0.205	0.519	0.008
Rv3240c_1nkt_A	14	3n58_ADN_D_500 PDB CREDO	0.579	0.205	0.519	0.008
Rv3240c_1nkt_A	14	1hwi_115_C_4 PDB CREDO	0.536	0.263	0.518	0.008
Rv3240c_1nkt_A	14	3g1u_ADN_D_438 PDB CREDO	0.586	0.196	0.506	0.010
Rv3240c_1nkt_A	14	3ond_ADN_A_506 PDB CREDO	0.628	0.147	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
adenosine diphosphatePubChem	0.995	427.201
magnesiumPubChem	0.977	24.305
DB03431PubChem	0.8	427.201
sodium azidePubChem	0.742	65.0099
azidePubChem	0.704	42.0201