Target Information
| Target General Information | Top | |||||
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| Target ID |
T53588
(Former ID: TTDI02066)
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| Target Name |
Bacterial NADH-dependent enoyl-ACP reductase (Bact fabI)
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| Synonyms |
Enoyl[acylcarrierprotein] reductase [NADH] FabI; ENR of Mycobacterium tuberculosis
Click to Show/Hide
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| Gene Name |
Bact fabI
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| Target Type |
Literature-reported target
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[1] | ||||
| Disease | [+] 1 Target-related Diseases | + | ||||
| 1 | Anaerobic bacterial infection [ICD-11: 1A00-1A09] | |||||
| Function |
Catalyzes the reduction of a carbon-carbon double bond in an enoyl moiety that is covalently linked to an acyl carrier protein (ACP). Involved in the elongation cycle of fatty acid which are used in the lipid metabolism and in the biotin biosynthesis.
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| BioChemical Class |
Short-chain dehydrogenases reductase
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| UniProt ID | ||||||
| Sequence |
MGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIV
LQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDIS SYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPE GVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGI SGEVVHVDGGFSIAAMNELELK Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Drugs and Modes of Action | Top | |||||
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| Preclinical Drug(s) | [+] 1 Preclinical Drugs | + | ||||
| 1 | MUT-056399 | Drug Info | Preclinical | Methicillin-resistant staphylococci infection | [2] | |
| Mode of Action | [+] 1 Modes of Action | + | ||||
| Modulator | [+] 1 Modulator drugs | + | ||||
| 1 | MUT-056399 | Drug Info | [1] | |||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: Triclosan | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN | PDB:1QSG | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [3] |
| PDB Sequence |
GFLSGKRILV
11 TGVASKLSIA21 YGIAQAMHRE31 GAELAFTYQN41 DKLKGRVEEF51 AAQLGSDIVL 61 QCDVAEDASI71 DTMFAELGKV81 WPKFDGFVHS91 IGFAPGDQLD101 GDYVNAVTRE 111 GFKIAHDISS121 YSFVAMAKAC131 RSMLNPGSAL141 LTLSYLGAER151 AIPNYNVMGL 161 AKASLEANVR171 YMANAMGPEG181 VRVNAISAGP191 IRTLAASGIK201 DFRKMLAHCE 211 AVTPIRRTVT221 IEDVGNSAAF231 LCSDLSAGIS241 GEVVHVDGGF251 SIAAMNEL |
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Indole Naphthyridinone | Ligand Info | |||||
| Structure Description | E. coli Enoyl Reductase in complex with NAD and SB611113 | PDB:1MFP | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [4] |
| PDB Sequence |
GFLSGKRILV
11 TGVASKLSIA21 YGIAQAMHRE31 GAELAFTYQN41 DKLKGRVEEF51 AAQLGSDIVL 61 QCDVAEDASI71 DTMFAELGKV81 WPKFDGFVHS91 IGFAPGDQLD101 GDYVNAVTRE 111 GFKIAHDISS121 YSFVAMAKAC131 RSMLNPGSAL141 LTLSYLGAER151 AIPNYNVMGL 161 AKASLEANVR171 YMANAMGPEG181 VRVNAISAGP191 IRTLAASGIK201 DFRKMLAHCE 211 AVTPIRRTVT221 IEDVGNSAAF231 LCSDLSAGIS241 GEVVHVDGGF251 SIAAMNEL |
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GLY93
3.878
PHE94
2.915
ALA95
2.782
PRO96
4.618
GLY97
4.180
LEU100
3.990
TYR146
3.027
ILE153
4.065
PRO154
4.202
ASN155
3.985
TYR156
2.998
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| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Similarity Proteins
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There is no similarity protein (E value < 0.005) for this target
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| Target Poor or Non Binders | Top | |||||
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| Target Poor or Non Binders | ||||||
| References | Top | |||||
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| REF 1 | The MUT056399 inhibitor of FabI is a new antistaphylococcal compound. Antimicrob Agents Chemother. 2011 Oct;55(10):4692-7. | |||||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800021501) | |||||
| REF 3 | Structural basis and mechanism of enoyl reductase inhibition by triclosan. J Mol Biol. 1999 Jul 23;290(4):859-65. | |||||
| REF 4 | Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK. J Med Chem. 2003 Apr 24;46(9):1627-35. | |||||
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