Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T51284 | Target Info | |||
| Target Name | Bacterial Pyridoxal phosphate biosynthetic pdxJ (Bact pdxJ) | ||||
| Synonyms | pdxJ; Pyridoxine 5'-phosphate synthase; PNP synthase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Bact pdxJ | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 1-Deoxy-D-Xylulose-5-Phosphate | Ligand Info | |||
| Canonical SMILES | CC(=O)C(C(COP(=O)(O)O)O)O | ||||
| InChI | 1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1 | ||||
| InChIKey | AJPADPZSRRUGHI-RFZPGFLSSA-N | ||||
| PubChem Compound ID | 443201 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1M5W 1.96 A Crystal Structure of Pyridoxine 5'-Phosphate Synthase in Complex with 1-deoxy-D-xylulose phosphate | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [1] |
| PDB Sequence |
AELLLGVNID
11 HIATLRNARG21 TAYPDPVQAA31 FIAEQAGADG41 ITVHLREDRR51 HITDRDVRIL 61 RQTLDTRMNL71 EMAVTEEMLA81 IAVETKPHFC91 CLVPEKRQEV101 TTEGGLDVAG 111 QRDKMRDACK121 RLADAGIQVS131 LFIDADEEQI141 KAAAEVGAPF151 IEIHTGCYAD 161 AKTDAEQAQE171 LARIAKAATF181 AASLGLKVNA191 GHGLTYHNVK201 AIAAIPEMHE 211 LNIGHAIIGR221 AVMTGLKDAV231 AEMKRLMLEA241 RG
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| PDB ID: 1IXN Enzyme-Substrate Complex of Pyridoxine 5'-Phosphate Synthase | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
AELLLGVNID
11 HIATLRNARG21 TAYPDPVQAA31 FIAEQAGADG41 ITVHLREDRR51 HITDRDVRIL 61 RQTLDTRMNL71 EMAVTEEMLA81 IAVETKPHFC91 CLVPEKRQEV101 TTEGGLDVAG 111 QRDKMRDACK121 RLADAGIQVS131 LFIDADEEQI141 KAAAEVGAPF151 IEIHTGCYAD 161 AKTDAEQAQE171 LARIAKAATF181 AASLGLKVNA191 GHGLTYHNVK201 AIAAIPEMHE 211 LNIGHAIIGR221 AVMTGLKDAV231 AEMKRLMLEA241 RG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Multistate binding in pyridoxine 5'-phosphate synthase: 1.96 A crystal structure in complex with 1-deoxy-D-xylulose phosphate. Biochemistry. 2002 Oct 1;41(39):11649-57. | ||||
| REF 2 | Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis. J Mol Biol. 2002 Aug 23;321(4):601-12. | ||||
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