SInCRe - Rv1187

Tuberculist information

Gene name	rocA
Protein function	Probable pyrroline-5-carboxylate dehydrogenase RocA
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1329.39
Molecular mass(da)	58841.4
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 543

	  		  	1    MDAITQVPVPANEPVHDYAPKSPERTRLRTELASLADHPIDLPHVIGGRHRMGDGERIDV   60
			  	61   VQPHRHAARLGTLTNATHADAAAAVEAAMSAKSDWAALPFDERAAVFLRAADLLAGPWRE  120
			  	121  KIAAATMLGQSKSVYQAEIDAVCELIDFWRFNVAFARQILEQQPISGPGEWNRIDYRPLD  180
			  	181  GFVYAITPFNFTSIAGNLPTAPALMGNTVIWKPSITQTLAAYLTMQLLEAAGLPPGVINL  240
			  	241  VTGDGFAVSDVALADPRLAGIHFTGSTATFGHLWQWVGTNIGRYHSYPRLVGETGGKDFV  300
			  	301  VAHASARPDVLRTALIRGAFDYQGQKCSAVSRAFIAHSVWQRMGDELLAKAAELRYGDIT  360
			  	361  DLSNYGGALIDQRAFVKNVDAIERAKGAAAVTVAVGGEYDDSEGYFVRPTVLLSDDPTDE  420
			  	421  SFVIEYFGPLLSVHVYPDERYEQILDVIDTGSRYALTGAVIADDRQAVLTALDRLRFAAG  480
			  	481  NFYVNDKPTGAVVGRQPFGGARGSGTNDKAGSPLNLLRWTSARSIKETFVAATDHIYPHM  540
			  	541  AVD

Known structures in the PDB

	PDB ID	4IDM
	Total residue count	563
	Number of chains	1
	Method	X-RAY
	Resolution	2.5

	PDB ID	4IDS
	Total residue count	563
	Number of chains	1
	Method	X-RAY
	Resolution	2.04

	PDB ID	4IHI
	Total residue count	563
	Number of chains	1
	Method	X-RAY
	Resolution	2.25

	PDB ID	4JDC
	Total residue count	563
	Number of chains	1
	Method	X-RAY
	Resolution	1.6

	PDB ID	4LEM
	Total residue count	3378
	Number of chains	6
	Method	X-RAY
	Resolution	2.27

Number of amino acids : 543

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
Aldedh	PF00171	50-525

Mtb Structural Proteome models

Model Number	1
Model name	Rv1187
Template	2BHQ APDB CREDO
Template coverage	3_516
Template Identity(%)	31.9
Model coverage(%)	96.1
Normalized DOPE score	-0.629

Structure Models from Chopin

Model Number	1
Profile	c.82.1.1 Click for model details
zscore	49.2
Residue begin	5
Residue end	543

Model Number	2
Profile	3.40.309.10 Click for model details
zscore	35.25
Residue begin	293
Residue end	507

Binding pockets

STRING

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

Protein interacting with Rv1187	Gene name	Confidence Score
Rv1188	Rv1188	0.997
Rv2322c	rocD1	0.962
Rv1653	argJ	0.949
Rv2321c	rocD2	0.949
Rv2476c	gdh	0.93
Rv0500	proC	0.927
Rv0500	proC	0.927
Rv2427c	proA	0.92
Rv2439c	proB	0.919
Rv2439c	proB	0.919
Rv3432c	gadB	0.917
Rv3859c	gltB	0.915
Rv3859c	gltB	0.915
Rv3859c	gltB	0.915
Rv3859c	gltB	0.915

Potential ligand/drug binding sites

No binding sites identified

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
pyrroline-5-carboxylatePubChem	0.968	113.115
glutamatePubChem	0.965	147.129
1-pyrroline-5-carboxylatePubChem	0.961	113.115
glutamate semialdehydePubChem	0.941	131.13
glutamate gamma-semialdehydePubChem	0.937	131.13
NAD+PubChem	0.934	663.425
L-prolinePubChem	0.917	115.13
molecular oxygenPubChem	0.9	31.9988
C05947PubChem	0.9	163.129
4-hydroxyprolinePubChem	0.9	131.13
(2R)-4-hydroxypyrrolidin-1-ium-2-carboxylatePubChem	0.9	131.13
dihydronicotinamide formycin dinucleotidePubChem	0.9	665.441
C05932PubChem	0.9	231.203
L-hydroxyprolinePubChem	0.9	131.13
hydroxyl radicalsPubChem	0.9	17.0073
deuteriumPubChem	0.9	2.01588
C04281PubChem	0.9	129.114
protiumPubChem	0.9	2.01576
hydroxyglutamic acidPubChem	0.9	163.129
H(+)PubChem	0.9	2.01588
alpha-ketoglutaratePubChem	0.9	146.098
C05931PubChem	0.9	247.202
AR-1L2874PubChem	0.9	129.114
2-keto-4-hydroxyglutaratePubChem	0.9	162.098
reduced nicotinamide adenine dinucleotidePubChem	0.9	665.441