Target Information
| Target General Information | Top | |||||
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| Target ID |
T23688
(Former ID: TTDR00022)
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| Target Name |
Bacterial Deoxy-D-manno-octulosonate 8-phosphate synthase (Bact kdsA)
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| Synonyms |
kdsA; Phospho-2-dehydro-3-deoxyoctonate aldolase; KDOPS; KDOP synthase; KDO8PS; KDO8P synthase; KDO8-P synthase; KDO-8-phosphate synthetase; 3-deoxy-D-manno-octulosonic acid 8-phosphate synthetase; 3-Deoxy-d-manno-2-octulosonate-8-phosphate synthase; 2-dehydro-3-deoxyphosphooctonate aldolase
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| Gene Name |
Bact kdsA
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| Target Type |
Literature-reported target
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| Function |
Synthesis of KDO 8-P which is required for lipid A maturation and cellular growth.
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| BioChemical Class |
Alkyl aryl transferase
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| UniProt ID | ||||||
| Sequence |
MKQKVVSIGDINVANDLPFVLFGGMNVLESRDLAMRICEHYVTVTQKLGIPYVFKASFDK
ANRSSIHSYRGPGLEEGMKIFQELKQTFGVKIITDVHEPSQAQPVADVVDVIQLPAFLAR QTDLVEAMAKTGAVINVKKPQFVSPGQMGNIVDKFKEGGNEKVILCDRGANFGYDNLVVD MLGFSIMKKVSGNSPVIFDVTHALQCRDPFGAASGGRRAQVAELARAGMAVGLAGLFIEA HPDPEHAKCDGPSALPLAKLEPFLKQMKAIDDLVKGFEELDTSK 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: 3-Fluoro-2-(Phosphonooxy)Propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of KDO8P synthase in its binary complex with substrate analog E-FPEP | PDB:1PHQ | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [3] |
| PDB Sequence |
MKQKVVSIGD
10 INVANDLPFV20 LFGGMNVLES30 RDLAMRICEH40 YVTVTQKLGI50 PYVFKASFDK 60 ANRSSIHSYR70 GPGLEEGMKI80 FQELKQTFGV90 KIITDVHEPS100 QAQPVADVVD 110 VIQLPAFLAR120 QTDLVEAMAK130 TGAVINVKKP140 QFVSPGQMGN150 IVDKFKEGGN 160 EKVILCDRGA170 NFGYDNLVVD180 MLGFSIMKKV190 SGNSPVIFDV200 THALQRAQVA 222 ELARAGMAVG232 LAGLFIEAHP242 DPEHAKCDGP252 SALPLAKLEP262 FLKQMKAIDD 272 LVKGFEELDT282 SK
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phosphoenolpyruvate | Ligand Info | |||||
| Structure Description | Crystal structure of KDO8P synthase in its binary complex with substrate PEP | PDB:1Q3N | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [4] |
| PDB Sequence |
MKQKVVSIGD
10 INVANDLPFV20 LFGGMNVLES30 RDLAMRICEH40 YVTVTQKLGI50 PYVFKASFDK 60 ANRSSIHSYR70 GPGLEEGMKI80 FQELKQTFGV90 KIITDVHEPS100 QAQPVADVVD 110 VIQLPAFLAR120 QTDLVEAMAK130 TGAVINVKKP140 QFVSPGQMGN150 IVDKFKEGGN 160 EKVILCDRGA170 NFGYDNLVVD180 MLGFSIMKKV190 SGNSPVIFDV200 THALQRAQVA 222 ELARAGMAVG232 LAGLFIEAHP242 DPEHAKCDGP252 SALPLAKLEP262 FLKQMKAIDD 272 LVKGFEELDT282 SK
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| 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 | DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. | |||||
| REF 3 | Crystal structure of KDO8P synthase in its binary complex with substrate analog E-FPEP | |||||
| REF 4 | Crystal structures of Escherichia coli KDO8P synthase complexes reveal the source of catalytic irreversibility. J Mol Biol. 2005 Aug 19;351(3):641-52. | |||||
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