Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T59130 | Target Info | |||
| Target Name | Bacterial Triosephosphate isomerase (Bact TPI) | ||||
| Synonyms | Triose-phosphate isomerase; TPI; TIM | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Bact TPI | ||||
| Biochemical Class | Intramolecular oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-Phosphoglycolic Acid | Ligand Info | |||
| Canonical SMILES | C(C(=O)O)OP(=O)(O)O | ||||
| InChI | 1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7) | ||||
| InChIKey | ASCFNMCAHFUBCO-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 529 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3PVF Structure of C126S mutant of Plasmodium falciparum triosephosphate isomerase complexed with PGA | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | Yes | [1] |
| 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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| PDB ID: 1LYX Plasmodium Falciparum Triosephosphate Isomerase (PfTIM)-Phosphoglycolate complex | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [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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| PDB ID: 5GZP Y74COX MUTANT OF PLASMODIUM FALCIPARUM TRIOSEPHOSPHATE ISOMERASE | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [3] |
| PDB Sequence |
ARKYFVAANW
11 KCNGTLESIK21 SLTNSFNNLD31 FDPSKLDVVV41 FPVSVHYDHT51 RKLLQSKFST 61 GIQNVSKFGN71 GSCTGEVSAE81 IAKDLNIEYV91 IIGHFERRKY101 FHETDEDVRE 111 KLQASLKNNL121 KAVVCFGESL131 EQREQNKTIE141 VITKQVKAFV151 DLIDNFDNVI 161 LVYEPLWAIG171 TGKTATPEQA181 QLVHKEIRKI191 VKDTCGEKQA201 NQIRILYGGS 211 VNTENCSSLI221 QQEDIDGFLV231 GNASLKESFV241 DIIKSAM
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| PDB ID: 5GV4 Y74COX MUTANT OF PLASMODIUM FALCIPARUM TRIOSEPHOSPHATE ISOMERASE | ||||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | Yes | [4] |
| PDB Sequence |
ARKYFVAANW
11 KCNGTLESIK21 SLTNSFNNLD31 FDPSKLDVVV41 FPVSVHYDHT51 RKLLQSKFST 61 GIQNVSKFNG72 SCTGEVSAEI82 AKDLNIEYVI92 IGHFERRKYF102 HETDEDVREK 112 LQASLKNNLK122 AVVCFGESLE132 QREQNKTIEV142 ITKQVKAFVD152 LIDNFDNVIL 162 VYEPLWAIGT172 GKTATPEQAQ182 LVHKEIRKIV192 KDTCGEKQAN202 QIRILYGGSV 212 NTENCSSLIQ222 QEDIDGFLVG232 NASLKESFVD242 IIKSAM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PGA or .PGA2 or .PGA3 or :3PGA;style chemicals stick;color identity;select .A:10 or .A:12 or .A:95 or .A:165 or .A:169 or .A:170 or .A:171 or .A:172 or .A:210 or .A:211 or .A:212 or .A:230 or .A:231 or .A:232 or .A:233 or .A:234; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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. | ||||
| REF 2 | Structure of the Plasmodium falciparum triosephosphate isomerase-phosphoglycolate complex in two crystal forms: characterization of catalytic loop open and closed conformations in the ligand-bound state. Biochemistry. 2002 Nov 5;41(44):13178-88. | ||||
| REF 3 | Y74COX MUTANT OF PLASMODIUM FALCIPARUM TRIOSEPHOSPHATE ISOMERASE | ||||
| REF 4 | Y74COX MUTANT OF PLASMODIUM FALCIPARUM TRIOSEPHOSPHATE ISOMERASE | ||||
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