Target Information
| Target General Information | Top | |||||
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| Target ID |
T66120
(Former ID: TTDR00676)
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| Target Name |
Bacterial Deoxy-manno-octulosonate cytidylyltransferase (Bact kdsB)
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| Synonyms |
kdsB; CMP-KDO synthetase; CMP-2-keto-3-deoxyoctulosonic acid synthetase; CKS; 3-deoxy-D-manno-octulosonate cytidylytransferase
Click to Show/Hide
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| Gene Name |
Bact kdsB
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| Target Type |
Clinical trial target
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[1] | ||||
| Disease | [+] 1 Target-related Diseases | + | ||||
| 1 | Idiopathic inflammatory myopathy [ICD-11: 4A41] | |||||
| Function |
Activates KDO (a required 8-carbon sugar) for incorporation into bacterial lipopolysaccharide in Gram-negative bacteria.
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| BioChemical Class |
Kinase
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| UniProt ID | ||||||
| EC Number |
EC 2.7.7.38
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| Sequence |
MSFVVIIPARYASTRLPGKPLVDINGKPMIVHVLERARESGAERIIVATDHEDVARAVEA
AGGEVCMTRADHQSGTERLAEVVEKCAFSDDTVIVNVQGDEPMIPATIIRQVADNLAQRQ VGMATLAVPIHNAEEAFNPNAVKVVLDAEGYALYFSRATIPWDRDRFAEGLETVGDNFLR HLGIYGYRAGFIRRYVNWQPSPLEHIEMLEQLRVLWYGEKIHVAVAQEVPGTGVDTPEDL ERVRAEMR 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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| Clinical Trial Drug(s) | [+] 1 Clinical Trial Drugs | + | ||||
| 1 | UX-001 | Drug Info | Phase 3 | Hereditary inclusion body myositis | [2] | |
| Mode of Action | [+] 1 Modes of Action | + | ||||
| Inhibitor | [+] 4 Inhibitor drugs | + | ||||
| 1 | UX-001 | Drug Info | [1] | |||
| 2 | Cmp-2-Keto-3-Deoxy-Octulosonic Acid | Drug Info | [1] | |||
| 3 | Cytidine-5'-Diphosphate | Drug Info | [1] | |||
| 4 | Cytidine-5'-Monophosphate | Drug Info | [3] | |||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: CTP | Ligand Info | |||||
| Structure Description | Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo | PDB:3K8D | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
| PDB Sequence |
SFVVIIPARY
11 ASTRLPGKPL21 VDINGKPMIV31 HVLERARESG41 AERIIVATDH51 EDVARAVEAA 61 GGEVCMTRAD71 HQSGTERLAE81 VVEKCAFSDD91 TVIVNVQGDE101 PMIPATIIRQ 111 VADNLAQRQV121 GMATLAVPIH131 NAEEAFNPNA141 VKVVLDAEGY151 ALYFSRATIP 161 WDRDRFAEGL171 ETVGDNFLRH181 LGIYGYRAGF191 IRRYVNWQPS201 PLEHIEMLEQ 211 LRVLWYGEKI221 HVAVAQEVPG231 TGVDTPEDLE241 RVRAEM
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| Ligand Name: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo | PDB:3K8D | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
| PDB Sequence |
SFVVIIPARY
11 ASTRLPGKPL21 VDINGKPMIV31 HVLERARESG41 AERIIVATDH51 EDVARAVEAA 61 GGEVCMTRAD71 HQSGTERLAE81 VVEKCAFSDD91 TVIVNVQGDE101 PMIPATIIRQ 111 VADNLAQRQV121 GMATLAVPIH131 NAEEAFNPNA141 VKVVLDAEGY151 ALYFSRATIP 161 WDRDRFAEGL171 ETVGDNFLRH181 LGIYGYRAGF191 IRRYVNWQPS201 PLEHIEMLEQ 211 LRVLWYGEKI221 HVAVAQEVPG231 TGVDTPEDLE241 RVRAEM
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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 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||||
| REF 3 | DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. | |||||
| REF 4 | Structure-based mechanism of CMP-2-keto-3-deoxymanno-octulonic acid synthetase: convergent evolution of a sugar-activating enzyme with DNA/RNA polymerases. J Biol Chem. 2009 Dec 18;284(51):35514-23. | |||||
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