SInCRe - Rv0016c

Tuberculist information

Gene name	pbpA
Protein function	Probable penicillin-binding protein PbpA
Functional category(tuberculist)	cell wall and cell processes
Gene location(kb)	18.759
Molecular mass(da)	51575.6
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 491

	  		  	1    MNASLRRISVTVMALIVLLLLNATMTQVFTADGLRADPRNQRVLLDEYSRQRGQITAGGQ   60
			  	61   LLAYSVATDGRFRFLRVYPNPEVYAPVTGFYSLRYSSTALERAEDPILNGSDRRLFGRRL  120
			  	121  ADFFTGRDPRGGNVDTTINPRIQQAGWDAMQQGCYGPCKGAVVALEPSTGKILALVSSPS  180
			  	181  YDPNLLASHNPEVQAQAWQRLGDNPASPLTNRAISETYPPGSTFKVITTAAALAAGATET  240
			  	241  EQLTAAPTIPLPGSTAQLENYGGAPCGDEPTVSLREAFVKSCNTAFVQLGIRTGADALRS  300
			  	301  MARAFGLDSPPRPTPLQVAESTVGPIPDSAALGMTSIGQKDVALTPLANAEIAATIANGG  360
			  	361  ITMRPYLVGSLKGPDLANISTTVGYQQRRAVSPQVAAKLTELMVGAEKVAQQKGAIPGVQ  420
			  	421  IASKTGTAEHGTDPRHTPPHAWYIAFAPAQAPKVAVAVLVENGADRLSATGGALAAPIGR  480
			  	481  AVIEAALQGEP

Known structures in the PDB

	PDB ID	3LO7
	Total residue count	966
	Number of chains	2
	Method	X-RAY
	Resolution	2.05

	PDB ID	3UN7
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	2

	PDB ID	3UPN
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	2.2

	PDB ID	3UPO
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	2.3

	PDB ID	3UPP
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	2.4

Number of amino acids : 491

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
Transpeptidase	PF00905	160-484

Mtb Structural Proteome models

Model Number	1
Model name	Rv0016c_3lo7_A
Template	3LO7 APDB CREDO
Template coverage	45_488
Template Identity(%)	100.0
Model coverage(%)	90.2
Normalized DOPE score	-1.706

Model Number	2
Model name	Rv0016c
Template	1RP5 BPDB CREDO
Template coverage	141_621
Template Identity(%)	18.6
Model coverage(%)	93.9
Normalized DOPE score	0.476

Structure Models from Chopin

Model Number	1
Profile	e.3.1.1 - 3.40.710.10 Click for model details
zscore	11.87
Residue begin	23
Residue end	491

Binding pockets

STRING

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

Protein interacting with Rv0016c	Gene name	Confidence Score
Rv0017c	rodA	0.999
Rv0018c	pstP	0.997
Rv0014c	pknB	0.996
Rv0014c	pknB	0.996
Rv2153c	murG	0.991
Rv2153c	murG	0.991
Rv0015c	pknA	0.979
Rv2154c	ftsW	0.959
Rv0019c	fhaB	0.958
Rv2150c	ftsZ	0.933
Rv2150c	ftsZ	0.933

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0016c_3lo7_A	13	3tne_RIT_B_401 PDB CREDO	0.572	0.214	0.538	0.006
Rv0016c_3lo7_A	13	1hwk_117_D_3 PDB CREDO	0.517	0.292	0.517	0.008
Rv0016c_3lo7_A	13	1hwi_115_D_3 PDB CREDO	0.550	0.245	0.517	0.008
Rv0016c_3lo7_A	13	1hwi_115_B_1 PDB CREDO	0.545	0.252	0.512	0.009
Rv0016c_3lo7_A	13	1hwl_FBI_D_3 PDB CREDO	0.524	0.281	0.509	0.010
Rv0016c_3lo7_A	13	1hwl_FBI_B_1 PDB CREDO	0.523	0.284	0.507	0.010
Rv0016c_3lo7_A	13	1hwl_FBI_A_2 PDB CREDO	0.520	0.287	0.505	0.010
Rv0016c_3lo7_A	13	1hwl_FBI_C_4 PDB CREDO	0.520	0.287	0.505	0.010
Rv0016c_3lo7_A	13	3tne_RIT_A_401 PDB CREDO	0.535	0.266	0.503	0.010
Rv0016c_3lo7_A	13	1d4f_ADN_C_603 PDB CREDO	0.675	0.101	0.502	0.011

Similarity to known drug target from sensitive sequence analysis

DrugBank ID	Drug Name
DB00274DrugBank	Cefmetazole
DB00303DrugBank	Ertapenem
DB00430DrugBank	Cefpiramide
DB00438DrugBank	Ceftazidime
DB00535DrugBank	Cefdinir
DB00671DrugBank	Cefixime
DB00923DrugBank	Ceforanide
DB00948DrugBank	Mezlocillin
DB01000DrugBank	Cyclacillin
DB01053DrugBank	Penicillin G
DB01147DrugBank	Cloxacillin
DB01163DrugBank	Amdinocillin
DB01326DrugBank	Cefamandole
DB01327DrugBank	Cefazolin
DB01328DrugBank	Cefonicid
DB01329DrugBank	Cefoperazone
DB01413DrugBank	Cefepime
DB01415DrugBank	Ceftibuten
DB01598DrugBank	Imipenem
DB01607DrugBank	Ticarcillin
DB04570DrugBank	Latamoxef

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

No high confidence interactions