Target Information
| Target General Information | Top | |||||
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| Target ID |
T51284
(Former ID: TTDR00655)
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| Target Name |
Bacterial Pyridoxal phosphate biosynthetic pdxJ (Bact pdxJ)
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| Synonyms |
pdxJ; Pyridoxine 5'-phosphate synthase; PNP synthase
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| Gene Name |
Bact pdxJ
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| Target Type |
Literature-reported target
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[1] | ||||
| Function |
Catalyzes the condensation of 1-deoxy-d-xylulose-5- phosphate (dxp) and 1-amino-3-(phosphohydroxy)propan-2-one to form pyridoxine 5'-phosphate (pnp).
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| UniProt ID | ||||||
| EC Number |
EC 2.6.99.2
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| Sequence |
MAELLLGVNIDHIATLRNARGTAYPDPVQAAFIAEQAGADGITVHLREDRRHITDRDVRI
LRQTLDTRMNLEMAVTEEMLAIAVETKPHFCCLVPEKRQEVTTEGGLDVAGQRDKMRDAC KRLADAGIQVSLFIDADEEQIKAAAEVGAPFIEIHTGCYADAKTDAEQAQELARIAKAAT FAASLGLKVNAGHGLTYHNVKAIAAIPEMHELNIGHAIIGRAVMTGLKDAVAEMKRLMLE ARG 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: 1-Deoxy-D-Xylulose-5-Phosphate | Ligand Info | |||||
| Structure Description | 1.96 A Crystal Structure of Pyridoxine 5'-Phosphate Synthase in Complex with 1-deoxy-D-xylulose phosphate | PDB:1M5W | ||||
| Method | X-ray diffraction | Resolution | 1.96 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Pyridoxine-5'-Phosphate | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF PYRIDOXINE 5'-PHOSPHATE SYNTHASE IN COMPLEX WITH PYRIDOXINE 5'-PHOSPHATE AND INORGANIC PHOSPHATE | PDB:1HO4 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| 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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| 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 | 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 3 | Structural basis for the function of pyridoxine 5'-phosphate synthase. Structure. 2001 Mar 7;9(3):245-53. | |||||
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