Target Information
| Target General Information | Top | |||||
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| Target ID |
T82723
(Former ID: TTDR00292)
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| Target Name |
Bacterial Oxoacyl-[acyl-carrier-protein] synthase II (Bact fabF)
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| Synonyms |
KASB; KAS II; KAS 2; FabF; Condensing enzyme FabF; Beta-ketoacyl-acyl carrier protein synthase B; Beta-ketoacyl-ACP synthase II; Beta-ketoacyl-ACP synthase 2; 3-oxoacyl-[acyl-carrier-protein] synthase 2
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| Gene Name |
Bact fabF
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| Target Type |
Literature-reported target
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[1] | ||||
| Disease | [+] 3 Target-related Diseases | + | ||||
| 1 | Bacterial infection [ICD-11: 1A00-1C4Z] | |||||
| 2 | Malaria [ICD-11: 1F40-1F45] | |||||
| 3 | Urinary tract infection [ICD-11: GC08] | |||||
| Function |
Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP. Has a preference for short chain acid substrates and may function to supply the octanoic substrates for lipoic acid biosynthesis.
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| BioChemical Class |
Acyltransferase
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| UniProt ID | ||||||
| EC Number |
EC 2.3.1.179
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| Sequence |
MSKRRVVVTGLGMLSPVGNTVESTWKALLAGQSGISLIDHFDTSAYATKFAGLVKDFNCE
DIISRKEQRKMDAFIQYGIVAGVQAMQDSGLEITEENATRIGAAIGSGIGGLGLIEENHT SLMNGGPRKISPFFVPSTIVNMVAGHLTIMYGLRGPSISIATACTSGVHNIGHAARIIAY GDADVMVAGGAEKASTPLGVGGFGAARALSTRNDNPQAASRPWDKERDGFVLGDGAGMLV LEEYEHAKKRGAKIYAELVGFGMSSDAYHMTSPPENGAGAALAMANALRDAGIEASQIGY VNAHGTSTPAGDKAEAQAVKTIFGEAASRVLVSSTKSMTGHLLGAAGAVESIYSILALRD QAVPPTINLDNPDEGCDLDFVPHEARQVSGMEYTLCNSFGFGGTNGSLIFKKI Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: Platensimycin | Ligand Info | |||||
| Structure Description | Structure of E. coli FabF(C163Q) in complex with Platensimycin | PDB:2GFX | ||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | Yes | [4] |
| PDB Sequence |
KRRVVVTGLG
11 MLSPVGNTVE21 STWKALLAGQ31 SGISLIDHFD41 TSAYATKFAG51 LVKDFNCEDI 61 ISRKEQRKMD71 AFIQYGIVAG81 VQAMQDSGLE91 ITEENATRIG101 AAIGSGIGGL 111 GLIEENHTSL121 MNGGPRKISP131 FFVPSTIVNM141 VAGHLTIMYG151 LRGPSISIAT 161 AQTSGVHNIG171 HAARIIAYGD181 ADVMVAGGAE191 KASTPLGVGG201 FGAARALSTR 211 NDNPQAASRP221 WDKERDGFVL231 GDGAGMLVLE241 EYEHAKKRGA251 KIYAELVGFG 261 MSSDAYHMTS271 PPENGAGAAL281 AMANALRDAG291 IEASQIGYVN301 AHGTSTPAGD 311 KAEAQAVKTI321 FGEAASRVLV331 SSTKSMTGHL341 LGAAGAVESI351 YSILALRDQA 361 VPPTINLDNP371 DEGCDLDFVP381 HEARQVSGME391 YTLCNSFGFG401 GTNGSLIFKK 411 I
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Lauric acid | Ligand Info | |||||
| Structure Description | Structure of E. coli FabF(K335A) mutant with covalently linked dodecanoic acid | PDB:2GFY | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | Yes | [4] |
| PDB Sequence |
KRRVVVTGLG
11 MLSPVGNTVE21 STWKALLAGQ31 SGISLIDHFD41 TSAYATKFAG51 LVKDFNCEDI 61 ISRKEQRKMD71 AFIQYGIVAG81 VQAMQDSGLE91 ITEENATRIG101 AAIGSGIGGL 111 GLIEENHTSL121 MNGGPRKISP131 FFVPSTIVNM141 VAGHLTIMYG151 LRGPSISIAT 161 ACTSGVHNIG171 HAARIIAYGD181 ADVMVAGGAE191 KASTPLGVGG201 FGAARALSTR 211 NDNPQAASRP221 WDKERDGFVL231 GDGAGMLVLE241 EYEHAKKRGA251 KIYAELVGFG 261 MSSDAYHMTS271 PPENGAGAAL281 AMANALRDAG291 IEASQIGYVN301 AHGTSTPAGD 311 KAEAQAVKTI321 FGEAASRVLV331 SSTASMTGHL341 LGAAGAVESI351 YSILALRDQA 361 VPPTINLDNP371 DEGCDLDFVP381 HEARQVSGME391 YTLCNSFGFG401 GTNGSLIFKK 411 I
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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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| Drug Property Profile of Target | Top | |
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| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| References | Top | |||||
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| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 2 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||||
| REF 3 | Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36. | |||||
| REF 4 | Platensimycin is a selective FabF inhibitor with potent antibiotic properties. Nature. 2006 May 18;441(7091):358-61. | |||||
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