Research workbench
Quinolinate phosphoribosyltransferase (qaprtase) from mycobacterium tuberculosis in complex with phthalate and prpcp
Analyse Quinolinate phosphoribosyltransferase (qaprtase) from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1QPR
- Type
- protein
- Length
- 1,704 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quinolinic acid phosphoribosyltransferase
- EC
- 2.4.2.19
- UniProt
- O06594
- Ligands
- PHT, PPC, MN
- Pockets
- 10 · best druggability 0.84
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 | Quinolinic acid phosphoribosyltransferase (EC 2.4.2.19) | protein | 284 | 47% helix, 19% strand | O06594 |
Ligands and binding sites
- PHT · Phthalic acid · ligand · 6 copies · chains A, B, C, D, E, F
- PPC · 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose · ligand · 6 copies · chains A, B, C, D, E, F
- MN · Manganese (II) ion · metal · 12 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.84 | 0.85 | 121 | MN, PHT, PPC |
| 2 | 953 | 0.83 | 0.85 | 118 | MN, PHT, PPC |
| 3 | 1167 | 0.80 | 0.81 | 115 | MN, PHT, PPC |
| 4 | 82 | 0.35 | 0.76 | 14 | empty |
| 5 | 76 | 0.31 | 0.74 | 14 | empty |
Interfaces
11 interfaces between chains.
- C–D · 2720 Ų buried · 32 hydrogen bonds · protein-protein
- E–F · 2719 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 2706 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 272 Ų buried · 0 hydrogen bonds · protein-protein
- A–E · 272 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1QPR · Quinolinate phosphoribosyltransferase (qaprtase) from mycobacterium tuberculosis in… · 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 1QPR · PDBe 1QPR · UniProt O06594
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