SInCRe - Rv1568

Tuberculist information

Gene name	bioA
Protein function	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	1775.39
Molecular mass(da)	46319.4
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 437

	  		  	1    MAAATGGLTPEQIIAVDGAHLWHPYSSIGREAVSPVVAVAAHGAWLTLIRDGQPIEVLDA   60
			  	61   MSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFF  120
			  	121  SDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTD  180
			  	181  VLAAQVFAPQVPRDYDPAYSAAFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDL  240
			  	241  RDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTAD  300
			  	301  VAHTISAGAAGALMHGPTFMANPLACAVSVASVELLLGQDWRTRITELAAGLTAGLDTAR  360
			  	361  ALPAVTDVRVCGAIGVIECDRPVDLAVATPAALDRGVWLRPFRNLVYAMPPYICTPAEIT  420
			  	421  QITSAMVEVARLVGSLP

Known structures in the PDB

	PDB ID	3BV0
	Total residue count	874
	Number of chains	2
	Method	X-RAY
	Resolution	2.21

	PDB ID	3LV2
	Total residue count	924
	Number of chains	2
	Method	X-RAY
	Resolution	2.18

	PDB ID	3TFT
	Total residue count	914
	Number of chains	2
	Method	X-RAY
	Resolution	1.95

	PDB ID	3TFU
	Total residue count	914
	Number of chains	2
	Method	X-RAY
	Resolution	1.94

	PDB ID	4CXQ
	Total residue count	914
	Number of chains	2
	Method	X-RAY
	Resolution	1.8

	PDB ID	4CXR
	Total residue count	914
	Number of chains	2
	Method	X-RAY
	Resolution	1.7

	PDB ID	4MQP
	Total residue count	914
	Number of chains	2
	Method	X-RAY
	Resolution	1.83

	PDB ID	4MQQ
	Total residue count	914
	Number of chains	2
	Method	X-RAY
	Resolution	1.7

	PDB ID	4MQR
	Total residue count	914
	Number of chains	2
	Method	X-RAY
	Resolution	2.1

Number of amino acids : 437

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
Aminotran_3	PF00202	37-381

Mtb Structural Proteome models

Model Number	1
Model name	Rv1568_3lv2_A
Template	3LV2 APDB CREDO
Template coverage	7_437
Template Identity(%)	100.0
Model coverage(%)	98.4
Normalized DOPE score	-1.232

Model Number	2
Model name	Rv1568
Template	1S0A APDB CREDO
Template coverage	1_422
Template Identity(%)	49.5
Model coverage(%)	96.8
Normalized DOPE score	-0.448

Structure Models from Chopin

Model Number	1
Profile	c.67.1.4 Click for model details
zscore	29.08
Residue begin	1
Residue end	437

Binding pockets

STRING

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

Protein interacting with Rv1568	Gene name	Confidence Score
Rv1589	bioB	0.999
Rv1589	bioB	0.999
Rv1569	bioF1	0.999
Rv1570	bioD	0.999
Rv0032	bioF2	0.97
Rv0032	bioF2	0.97
Rv0032	bioF2	0.97
Rv2753c	dapA	0.95
Rv1571	Rv1571	0.907

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv1568_3lv2_A	1	2v0z_C41_C_1328 PDB CREDO	0.640	0.135	0.553	0.005
Rv1568_3lv2_A	1	3bjw_SVR_F_502 PDB CREDO	0.638	0.136	0.524	0.008
Rv1568_3lv2_A	1	3bjw_SVR_H_504 PDB CREDO	0.636	0.138	0.523	0.008
Rv1568_3lv2_A	1	2v0z_C41_O_1327 PDB CREDO	0.645	0.129	0.516	0.009
Rv1568_3lv2_A	1	3bjw_SVR_E_510 PDB CREDO	0.582	0.201	0.516	0.009
Rv1568_3lv2_A	1	3bjw_SVR_B_501 PDB CREDO	0.627	0.148	0.515	0.009
Rv1568_3lv2_A	1	3bjw_SVR_F_509 PDB CREDO	0.578	0.207	0.512	0.009
Rv1568_3lv2_A	1	3bjw_SVR_H_511 PDB CREDO	0.577	0.208	0.511	0.009
Rv1568_3lv2_A	1	3kk6_CEL_A_701 PDB CREDO	0.622	0.153	0.511	0.009

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
7-keto-8-aminopelargonic acidPubChem	0.992	187.236
pyridoxal phosphatePubChem	0.98	247.142
8-amino-7-oxononanoic acidPubChem	0.974	187.236
dethiobiotinPubChem	0.97	214.262
7,8-diaminopelargonic acidPubChem	0.961	188.267
S-adenosyl-L-methioninePubChem	0.954	399.445
pimeloyl-CoAPubChem	0.938	909.687
sinefunginPubChem	0.911	381.387
phosphatePubChem	0.908	96.9872
carbon dioxidePubChem	0.902	44.0095
L-alaninePubChem	0.901	89.0932
S-adenosyl-methioninePubChem	0.9	398.437
adenosine triphosphatePubChem	0.9	507.181
S-adenosyl-4-methylthio-2-oxobutanoatePubChem	0.9	398.414
H(+)PubChem	0.9	2.01588
coenzyme APubChem	0.9	767.534
protiumPubChem	0.9	2.01576
deuteriumPubChem	0.9	2.01588
adenosine diphosphatePubChem	0.9	427.201
7,8-diaminononanoic acidPubChem	0.9	188.267
Co-APubChem	0.9	767.534
amiclenomycinPubChem	0.861	196.246