SInCRe - Rv3518c

Tuberculist information

Gene name	cyp142
Protein function	Probable cytochrome P450 monooxygenase 142 Cyp142
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	3954.32
Molecular mass(da)	44398.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 398

	  		  	1    MTEAPDVDLADGNFYASREARAAYRWMRANQPVFRDRNGLAAASTYQAVIDAERQPELFS   60
			  	61   NAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCER  120
			  	121  GECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFA  180
			  	181  AYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLS  240
			  	241  GGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEK  300
			  	301  MMLLFESANFDEAVFCEPEKFDVQRNPNSHLAFGFGTHFCLGNQLARLELSLMTERVLRR  360
			  	361  LPDLRLVADDSVLPLRPANFVSGLESMPVVFTPSPPLG

Known structures in the PDB

	PDB ID	2XKR
	Total residue count	398
	Number of chains	1
	Method	X-RAY
	Resolution	1.6

Number of amino acids : 398

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
p450	PF00067	85-375

Mtb Structural Proteome models

Model Number	1
Model name	Rv3518c_2xkr_A
Template	2XKR APDB CREDO
Template coverage	4_398
Template Identity(%)	100.0
Model coverage(%)	99.0
Normalized DOPE score	-1.794

Model Number	2
Model name	Rv3518c
Template	1Z8O APDB CREDO
Template coverage	6_402
Template Identity(%)	32.3
Model coverage(%)	96.2
Normalized DOPE score	-0.628

Structure Models from Chopin

Model Number	1
Profile	a.104.1.1 - 1.10.630.10 Click for model details
zscore	8.13
Residue begin	1
Residue end	177

Model Number	2
Profile	a.104.1.1 - 1.10.630.10 Click for model details
zscore	8.13
Residue begin	85
Residue end	261

Model Number	3
Profile	a.104.1.1 - 1.10.630.10 Click for model details
zscore	8.13
Residue begin	244
Residue end	420

Binding pockets

STRING

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

Protein interacting with Rv3518c	Gene name	Confidence Score
Rv2276	cyp121	0.949
Rv0568	cyp135B1	0.945
Rv3121	cyp141	0.94
Rv1394c	cyp132	0.94
Rv1256c	cyp130	0.939
Rv0766c	cyp123	0.935
Rv2268c	cyp128	0.935
Rv3545c	cyp125	0.934
Rv0778	cyp126	0.932
Rv1777	cyp144	0.927
Rv1785c	cyp143	0.927
Rv2266	cyp124	0.926
Rv1880c	cyp140	0.923
Rv3685c	cyp137	0.913
Rv3059	cyp136	0.91

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3518c_2xkr_A	19	3bjw_SVR_H_511 PDB CREDO	0.587	0.194	0.587	0.003
Rv3518c_2xkr_A	19	3bjw_SVR_F_509 PDB CREDO	0.587	0.195	0.587	0.003
Rv3518c_2xkr_A	19	3bjw_SVR_E_510 PDB CREDO	0.581	0.202	0.581	0.003
Rv3518c_2xkr_A	19	3bjw_SVR_B_512 PDB CREDO	0.610	0.167	0.565	0.004
Rv3518c_2xkr_A	19	3bjw_SVR_G_506 PDB CREDO	0.596	0.183	0.525	0.007
Rv3518c_2xkr_A	19	3bjw_SVR_C_505 PDB CREDO	0.605	0.173	0.518	0.008
Rv3518c_2xkr_A	19	3bjw_SVR_H_504 PDB CREDO	0.543	0.254	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
C16205PubChem	0.9	212.244
monoterpenesPubChem	0.9	136.234
myrtenolPubChem	0.9	152.233
trans-pinocarveolPubChem	0.9	152.233
catecholPubChem	0.9	110.111
tetraethylene glycolPubChem	0.9	194.226
1,2,4-benzenetriolPubChem	0.9	126.11