SInCRe - Rv1018c

Tuberculist information

Gene name	glmU
Protein function	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU
Functional category(tuberculist)	cell wall and cell processes
Gene location(kb)	1136.57
Molecular mass(da)	51584
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 495

	  		  	1    MTFPGDTAVLVLAAGPGTRMRSDTPKVLHTLAGRSMLSHVLHAIAKLAPQRLIVVLGHDH   60
			  	61   QRIAPLVGELADTLGRTIDVALQDRPLGTGHAVLCGLSALPDDYAGNVVVTSGDTPLLDA  120
			  	121  DTLADLIATHRAVSAAVTVLTTTLDDPFGYGRILRTQDHEVMAIVEQTDATPSQREIREV  180
			  	181  NAGVYAFDIAALRSALSRLSSNNAQQELYLTDVIAILRSDGQTVHASHVDDSALVAGVNN  240
			  	241  RVQLAELASELNRRVVAAHQLAGVTVVDPATTWIDVDVTIGRDTVIHPGTQLLGRTQIGG  300
			  	301  RCVVGPDTTLTDVAVGDGASVVRTHGSSSSIGDGAAVGPFTYLRPGTALGADGKLGAFVE  360
			  	361  VKNSTIGTGTKVPHLTYVGDADIGEYSNIGASSVFVNYDGTSKRRTTVGSHVRTGSDTMF  420
			  	421  VAPVTIGDGAYTGAGTVVREDVPPGALAVSAGPQRNIENWVQRKRPGSPAAQASKRASEM  480
			  	481  ACQQPTQPPDADQTP

Known structures in the PDB

	PDB ID	2QKX
	Total residue count	391
	Number of chains	1
	Method	X-RAY
	Resolution	2.75

	PDB ID	3D8V
	Total residue count	495
	Number of chains	1
	Method	X-RAY
	Resolution	2.55

	PDB ID	3D98
	Total residue count	495
	Number of chains	1
	Method	X-RAY
	Resolution	2.5

	PDB ID	3DJ4
	Total residue count	495
	Number of chains	1
	Method	X-RAY
	Resolution	2.38

	PDB ID	3DK5
	Total residue count	495
	Number of chains	1
	Method	X-RAY
	Resolution	2.23

	PDB ID	3FOQ
	Total residue count	503
	Number of chains	1
	Method	X-RAY
	Resolution	3.41

	PDB ID	3SPT
	Total residue count	501
	Number of chains	1
	Method	X-RAY
	Resolution	2.33

	PDB ID	3ST8
	Total residue count	501
	Number of chains	1
	Method	X-RAY
	Resolution	1.98

	PDB ID	4G3P
	Total residue count	501
	Number of chains	1
	Method	X-RAY
	Resolution	2.47

	PDB ID	4G3Q
	Total residue count	501
	Number of chains	1
	Method	X-RAY
	Resolution	1.9

	PDB ID	4G3S
	Total residue count	501
	Number of chains	1
	Method	X-RAY
	Resolution	2.04

	PDB ID	4G87
	Total residue count	501
	Number of chains	1
	Method	X-RAY
	Resolution	2.03

	PDB ID	4HCQ
	Total residue count	501
	Number of chains	1
	Method	X-RAY
	Resolution	2.6

	PDB ID	4K6R
	Total residue count	501
	Number of chains	1
	Method	X-RAY
	Resolution	1.98

Number of amino acids : 495

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
NTP_transf_3	PF12804	9-279
Hexapep	PF00132	277-312
Hexapep	PF00132	328-363
Hexapep	PF00132	405-440

Mtb Structural Proteome models

Model Number	1
Model name	Rv1018c_2qkx_A
Template	2QKX APDB CREDO
Template coverage	2_389
Template Identity(%)	100.0
Model coverage(%)	78.2
Normalized DOPE score	-1.356

Model Number	2
Model name	Rv1018c_3dj4_A
Template	3DJ4 APDB CREDO
Template coverage	6_474
Template Identity(%)	100.0
Model coverage(%)	94.5
Normalized DOPE score	-1.061

Model Number	3
Model name	Rv1018c
Template	1HM9 APDB CREDO
Template coverage	6_451
Template Identity(%)	42.6
Model coverage(%)	91.5
Normalized DOPE score	-0.631

Structure Models from Chopin

Model Number	1
Profile	b.81.1.4, c.68.1.5 - 2.160.10.10, 3.90.550.10 Click for model details
zscore	69.29
Residue begin	3
Residue end	471

Model Number	2
Profile	c.68.1.5 - 3.90.550.10 Click for model details
zscore	54.98
Residue begin	4
Residue end	263

Model Number	3
Profile	2.160.10.10 Click for model details
zscore	26.75
Residue begin	240
Residue end	465

Model Number	4
Profile	b.81.1.8 Click for model details
zscore	12.41
Residue begin	193
Residue end	385

Binding pockets

STRING

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

Protein interacting with Rv1018c	Gene name	Confidence Score
Rv3441c	mrsA	0.999
Rv3441c	mrsA	0.999
Rv3441c	mrsA	0.999
Rv3441c	mrsA	0.999
Rv1315	murA	0.988
Rv3436c	glmS	0.988
Rv3436c	glmS	0.988
Rv1017c	prsA	0.986
Rv1017c	prsA	0.986
Rv1015c	rplY	0.927
Rv1015c	rplY	0.927
Rv0408	pta	0.926
Rv0408	pta	0.926
Rv0408	pta	0.926
Rv0014c	pknB	0.908
Rv0014c	pknB	0.908

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1018c_3dj4_A	1	2v0z_C41_O_1327 PDB CREDO	0.622	0.153	0.606	0.002
Rv1018c_3dj4_A	1	2v0z_C41_C_1328 PDB CREDO	0.631	0.144	0.600	0.002
Rv1018c_3dj4_A	1	3kk6_CEL_A_701 PDB CREDO	0.537	0.263	0.537	0.006
Rv1018c_3dj4_A	1	3bjw_SVR_H_504 PDB CREDO	0.520	0.287	0.520	0.008
Rv1018c_3dj4_A	1	3bjw_SVR_F_502 PDB CREDO	0.517	0.291	0.517	0.008
Rv1018c_3dj4_A	1	3bjw_SVR_B_501 PDB CREDO	0.517	0.292	0.517	0.008
Rv1018c_3dj4_A	1	3pww_ROC_A_1001 PDB CREDO	0.531	0.271	0.504	0.010
Rv1018c_3dj4_A	1	3bjw_SVR_B_512 PDB CREDO	0.503	0.313	0.503	0.010

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
N-acetylglucosamine-1-phosphatePubChem	0.999	301.188
UDP-GlcNAcPubChem	0.999	607.354
N-acetyl-alpha-D-glucosamine 1-phosphatePubChem	0.996	301.188
glucosamine-1-phosphatePubChem	0.995	259.151
acetyl-CoAPubChem	0.994	809.571
sulfatePubChem	0.985	96.0626
magnesiumPubChem	0.984	24.305
cobaltPubChem	0.978	117.866
hydron sulfatePubChem	0.977	196.157
coenzyme APubChem	0.971	767.534
Co-APubChem	0.967	767.534
uridine triphosphatePubChem	0.941	484.141
pyrophosphatePubChem	0.921	177.975
protiumPubChem	0.9	2.01576
acetyl coenzyme-APubChem	0.9	809.571
deuteriumPubChem	0.9	2.01588
H(+)PubChem	0.9	2.01588
AcCoAPubChem	0.867	809.571
uridinePubChem	0.775	244.201
MS11PubChem	0.705	348.42
Na(+)PubChem	0.703	22.9898
calciumPubChem	0.703	40.078