Target Information
| Target General Information | Top | |||||
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| Target ID |
T34287
(Former ID: TTDS00450)
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| Target Name |
Candida Mannose-6-phosphate isomerase (Candi PMI1)
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| Synonyms |
Phosphomannose isomerase; Phosphohexomutase; PMI1; PMI
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| Gene Name |
Candi PMI1
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| Target Type |
Successful target
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[1] | ||||
| Disease | [+] 2 Target-related Diseases | + | ||||
| 1 | Acne vulgaris [ICD-11: ED80] | |||||
| 2 | Dermatitis herpetiformis [ICD-11: EB44] | |||||
| Function |
Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions.
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| BioChemical Class |
Intramolecular oxidoreductases
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| UniProt ID | ||||||
| Sequence |
MSSEKLFRIQCGYQNYDWGKIGSSSAVAQFVHNSDPSITIDETKPYAELWMGTHPSVPSK
AIDLNNQTLRDLVTAKPQEYLGESIITKFGSSKELPFLFKVLSIEKVLSIQAHPDKKLGA QLHAADPKNYPDDNHKPEMAIAVTDFEGFCGFKPLDQLAKTLATVPELNEIIGQELVDEF ISGIKLPAEVGSQDDVNNRKLLQKVFGKLMNTDDDVIKQQTAKLLERTDREPQVFKDIDS RLPELIQRLNKQFPNDIGLFCGCLLLNHVGLNKGEAMFLQAKDPHAYISGDIIECMAASD NVVRAGFTPKFKDVKNLVEMLTYSYESVEKQKMPLQEFPRSKGDAVKSVLYDPPIAEFSV LQTIFDKSKGGKQVIEGLNGPSIVIATNGKGTIQITGDDSTKQKIDTGYVFFVAPGSSIE LTADSANQDQDFTTYRAFVEA 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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| Approved Drug(s) | [+] 2 Approved Drugs | + | ||||
| 1 | Sulfacetamide | Drug Info | Approved | Acne vulgaris | [2], [3] | |
| 2 | Sulfoxone | Drug Info | Approved | Dermatitis herpetiformis | [3] | |
| Mode of Action | [+] 1 Modes of Action | + | ||||
| Inhibitor | [+] 6 Inhibitor drugs | + | ||||
| 1 | Sulfacetamide | Drug Info | [1] | |||
| 2 | Sulfoxone | Drug Info | [1] | |||
| 3 | Acetate Ion | Drug Info | [4] | |||
| 4 | Formic Acid | Drug Info | [4] | |||
| 5 | GNF-PF-2272 | Drug Info | [5] | |||
| 6 | GNF-PF-5134 | Drug Info | [5] | |||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: (2S,3R,4R)-2,3,4-Trihydroxy-5-(phosphonooxy)valerohydrazide | Ligand Info | |||||
| Structure Description | Crystal structure of candida albicans phosphomannose isomerase in complex with inhibitor | PDB:5NW7 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [6] |
| PDB Sequence |
SSEKLFRIQC
11 GYQNYDWGKI21 GSSSAVAQFV31 HNSDPSITID41 ETKPYAELWM51 GTHPSVPSKA 61 IDLNNQTLRD71 LVTAKPQEYL81 GESIITKFGS91 SKELPFLFKV101 LSIEKVLSIQ 111 AHPDKKLGAQ121 LHAADPKNYP131 DDNHKPEMAI141 AVTDFEGFCG151 FKPLDQLAKT 161 LATVPELNEI171 IGQELVDEFI181 SGIKLPAEVG191 SQDDVNNRKL201 LQKVFGKLMN 211 TDDDVIKQQT221 AKLLERTDRE231 PQVFKDIDSR241 LPELIQRLNK251 QFPNDIGLFC 261 GCLLLNHVGL271 NKGEAMFLQA281 KDPHAYISGD291 IIECMAASDN301 VVRAGFTPKF 311 KDVKNLVEML321 TYSYESVEKQ331 KMPLQEFPRS341 KGDAVKSVLY351 DPPIAEFSVL 361 QTIFDKSKGG371 KQVIEGLNGP381 SIVIATNGKG391 TIQITGDDST401 KQKIDTGYVF 411 FVAPGSSIEL421 TADSANQDQD431 FTTYRAFVEA441
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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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| Chemical Structure based Activity Landscape of Target | Top |
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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 | ||
| Target Poor or Non Binders | Top | |||||
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| Target Poor or Non Binders | ||||||
| Target-Related Models and Studies | Top | |||||
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| Target Validation | ||||||
| References | Top | |||||
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| REF 1 | Antifungal Activity of Ag(I) and Zn(II) Complexes of Sulfacetamide Derivatives. Met Based Drugs. 2000;7(1):49-54. | |||||
| REF 2 | FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 080028. | |||||
| REF 3 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||||
| REF 4 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 5 | In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. | |||||
| REF 6 | Crystal structure of phosphomannose isomerase from Candida?albicans complexed with 5-phospho-d-arabinonhydrazide. FEBS Lett. 2018 May;592(10):1667-1680. | |||||
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