MolNFT v1 · #19623 · protein
Structure of quinolinic acid phosphoribosyltransferase from mycobacterium tuberculosis: a potential tb drug target
1QPQ · Quinolinate phosphoribosyltransferase: “Structure of quinolinic acid phosphoribosyltransferase from mycobacterium tuberculosis: a potential tb drug…”. X-ray diffraction, 2 ligands (NTM, SO4), 9 pockets (best druggability 0.86).…
- PDB
- 1QPQ
- Type
- protein
- Length
- 1,704 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quinolinate phosphoribosyltransferase
- EC
- 2.4.2.19
- UniProt
- O06594
- Ligands
- NTM, SO4
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Quinolinate phosphoribosyltransferase (EC 2.4.2.19) | protein | 284 | 47% helix, 19% strand | O06594 |
Ligands and binding sites
- NTM · Quinolinic acid · ligand · 6 copies · chains A, B, C, D, E, F
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1194 | 0.86 | 0.87 | 180 | SO4, NTM |
| 2 | 394 | 0.76 | 0.86 | 64 | SO4, NTM |
| 3 | 508 | 0.76 | 0.84 | 78 | SO4, NTM |
| 4 | 445 | 0.76 | 0.85 | 66 | SO4, NTM |
| 5 | 58 | 0.37 | 0.79 | 17 | empty |
Interfaces
11 interfaces between chains.
- A–B · 2668 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2666 Ų buried · 32 hydrogen bonds · protein-protein
- E–F · 2647 Ų buried · 37 hydrogen bonds · protein-protein
- A–C · 278 Ų buried · 1 hydrogen bond · protein-protein
- A–E · 270 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1QPQ · Structure of Quinolinic Acid Phosphoribosyltransferase from Mycobacterium Tuberculosis: A… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O06594
- Elsewhere: RCSB PDB 1QPQ · PDBe 1QPQ · UniProt O06594
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