Target Information
| Target General Information | Top | |||||
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| Target ID |
T59130
(Former ID: TTDR00637)
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| Target Name |
Bacterial Triosephosphate isomerase (Bact TPI)
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| Synonyms |
Triose-phosphate isomerase; TPI; TIM
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| Gene Name |
Bact TPI
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| Target Type |
Literature-reported target
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[1] | ||||
| Function |
identical protein binding, triose-phosphate isomerase activity.
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| BioChemical Class |
Intramolecular oxidoreductase
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| UniProt ID | ||||||
| EC Number |
EC 5.3.1.1
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| Sequence |
MARKYFVAANWKCNGTLESIKSLTNSFNNLDFDPSKLDVVVFPVSVHYDHTRKLLQSKFS
TGIQNVSKFGNGSYTGEVSAEIAKDLNIEYVIIGHFERRKYFHETDEDVREKLQASLKNN LKAVVCFGESLEQREQNKTIEVITKQVKAFVDLIDNFDNVILAYEPLWAIGTGKTATPEQ AQLVHKEIRKIVKDTCGEKQANQIRILYGGSVNTENCSSLIQQEDIDGFLVGNASLKESF VDIIKSAM 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-Hydroxypyruvic Acid | Ligand Info | |||||
| Structure Description | Plasmodium falciparum TIM complexed to 2-phosphoglycerate | PDB:1O5X | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
RKYFVAANWK
12 CNGTLESIKS22 LTNSFNNLDF32 DPSKLDVVVF42 PVSVHYDHTR52 KLLQSKFSTG 62 IQNVSKFGNG72 SYTGEVSAEI82 AKDLNIEYVI92 IGHFERRKYF102 HETDEDVREK 112 LQASLKNNLK122 AVVCFGESLE132 QREQNKTIEV142 ITKQVKAFVD152 LIDNFDNVIL 162 VYEPLWAIGT172 GKTATPEQAQ182 LVHKEIRKIV192 KDTCGEKQAN202 QIRILYGGSV 212 NTENCSSLIQ222 QEDIDGFLVG232 NASLKESFVD242 IIKSAM
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| Ligand Name: 2-Phosphoglycolic Acid | Ligand Info | |||||
| Structure Description | Structure of C126S mutant of Plasmodium falciparum triosephosphate isomerase complexed with PGA | PDB:3PVF | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | Yes | [3] |
| PDB Sequence |
RKYFVAANWK
12 CNGTLESIKS22 LTNSFNNLDF32 DPSKLDVVVF42 PVSVHYDHTR52 KLLQSKFSTG 62 IQNVSKFGNG72 SYTGEVSAEI82 AKDLNIEYVI92 IGHFERRKYF102 HETDEDVREK 112 LQASLKNNLK122 AVVSFGESLE132 QREQNKTIEV142 ITKQVKAFVD152 LIDNFDNVIL 162 VYEPLWAIGT172 GKTATPEQAQ182 LVHKEIRKIV192 KDTCGEKQAN202 QIRILYGGSV 212 NTENCSSLIQ222 QEDIDGFLVG232 NASLKESFVD242 IIKSAM
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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 | ||
| Target Regulators | Top | |||||
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| Target-regulating Transcription Factors | ||||||
| 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 | Structure of Plasmodium falciparum triose-phosphate isomerase-2-phosphoglycerate complex at 1.1-A resolution. J Biol Chem. 2003 Dec 26;278(52):52461-70. | |||||
| REF 3 | Probing the role of the fully conserved Cys126 in triosephosphate isomerase by site-specific mutagenesis--distal effects on dimer stability. FEBS J. 2011 Jun;278(11):1932-43. | |||||
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