SInCRe - Rv0087

Tuberculist information

Gene name	hycE
Protein function	Possible formate hydrogenase HycE (FHL)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	95.414
Molecular mass(da)	53457.7
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 492

	  		  	1    VMSASWLRHRVSERGLIATAEQLWADSFRLALVAAHDDGDSLRVVYLFLAGYPDRRVELE   60
			  	61   YVVPADNPEIRSLAYLSFPAGRFEREMADLYGIRPVGHPKPRRLVRHAHWPDWHPMRTDA  120
			  	121  GPAPEFTDTGAFPFLAVEGPGVYEIPVGPVHAGLIEPGHFRFSVAGETIVRLKARLWFVH  180
			  	181  RGIEKLFHGRPATAAVDLAERISGDTSAAHALAHSLAIEDALGIELPHEVHRLRALIVEL  240
			  	241  ERLYNHAADLGALANDVGYSLANAHAQRIRENLLRRNAAVTGHRLLRGAIRAGGVALRAL  300
			  	301  PDTDELAALAVDLAEVATLTLANSVVYDRFAGTAVLHPDDASALGCLGYVARASGLRSDA  360
			  	361  RVEHPTIVLPITEIGAPDGDVLARYTVRRDEFAASAALAQHIVESHTGPIEYAATLHPVG  420
			  	421  APSSGIGIVEGWRGTIVHRVEIDVDGRITRAKVVDPSWFNWPALPVAMADTIVPDFPLAN  480
			  	481  KSFNQSYAGNDL

Known structures in the PDB

No Known structures

Number of amino acids : 492

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
Complex1_30kDa	PF00329	18-118
NiFeSe_Hases	PF00374	181-255
Complex1_49kDa	PF00346	256-416

Mtb Structural Proteome models

Model Number	1
Model name	Rv0087.1
Template	2FUG 5PDB CREDO
Template coverage	25_181
Template Identity(%)	20.9
Model coverage(%)	29.8
Normalized DOPE score	0.748

Model Number	2
Model name	Rv0087
Template	1E3D BPDB CREDO
Template coverage	6_540
Template Identity(%)	23.1
Model coverage(%)	71.8
Normalized DOPE score	0.797

Structure Models from Chopin

Model Number	1
Profile	d.307.1.1 Click for model details
zscore	18.62
Residue begin	18
Residue end	118

Binding pockets

STRING

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

Protein interacting with Rv0087	Gene name	Confidence Score
Rv0084	hycD	0.999
Rv0085	hycP	0.999
Rv0086	hycQ	0.999
Rv0082	Rv0082	0.996
Rv0083	Rv0083	0.994

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv0087.1	3	1v8b_ADN_B_1502 PDB CREDO	0.560	0.230	0.514	0.009
Rv0087.1	3	1v8b_ADN_D_3502 PDB CREDO	0.556	0.236	0.510	0.009
Rv0087.1	3	4dt8_ADN_A_401 PDB CREDO	0.532	0.269	0.509	0.009
Rv0087.1	3	1v8b_ADN_A_502 PDB CREDO	0.526	0.278	0.503	0.010
Rv0087.1	3	2ac7_ADN_A_1216 PDB CREDO	0.526	0.278	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

No high confidence interactions