MolNFT v1 · #113998 · protein
Crystal structure of human quinolinate phosphoribosyltransferase in complex with the reactant quinolinate
5AYY · Nicotinate-nucleotide pyrophosphorylase [carboxylating]: “Crystal structure of human quinolinate phosphoribosyltransferase in complex with the reactant quinolinate”. X-ray diffraction, 1 ligand (NTM), 20 pockets (best druggability…
- PDB
- 5AYY
- Type
- protein
- Length
- 2,601 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate-nucleotide pyrophosphorylase [carboxylating]
- EC
- 2.4.2.19
- UniProt
- V9HWJ5
- Ligands
- NTM
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I | Nicotinate-nucleotide pyrophosphorylase [carboxylating] (EC 2.4.2.19) | protein | 289 | 45% helix, 19% strand | V9HWJ5 |
Ligands and binding sites
- NTM · Quinolinic acid · ligand · 9 copies · chains A, G, B, C, D, E, F, H, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1107 | 0.84 | 0.85 | 108 | empty |
| 2 | 113 | 0.74 | 0.94 | 22 | empty |
| 3 | 96 | 0.73 | 0.95 | 20 | empty |
| 4 | 91 | 0.73 | 0.95 | 23 | empty |
| 5 | 890 | 0.72 | 0.77 | 78 | empty |
Interfaces
18 interfaces between chains.
- C–D · 2571 Ų buried · 41 hydrogen bonds · protein-protein
- E–F · 2562 Ų buried · 38 hydrogen bonds · protein-protein
- H–I · 2536 Ų buried · 35 hydrogen bonds · protein-protein
- A–G · 2522 Ų buried · 40 hydrogen bonds · protein-protein
- C–H · 838 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5AYY · Crystal structure of human quinolinate phosphoribosyltransferase in complex with the… · the same entry in another collection · chain G against G, 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 V9HWJ5
- Elsewhere: RCSB PDB 5AYY · PDBe 5AYY · UniProt V9HWJ5
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