MolNFT v1 · #121401 · protein
Crystal structure of nadc deletion mutant in cubic space group
5HUL · Quinolinate phosphoribosyltransferase: “Crystal structure of nadc deletion mutant in cubic space group”. X-ray diffraction, 1 ligand (PO4), 9 pockets (best druggability 0.61). MolNFT v1 #121401 on GenesisL1: 3D structure, binding…
- PDB
- 5HUL
- Type
- protein
- Length
- 1,134 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quinolinate phosphoribosyltransferase
- EC
- 2.4.2.19
- UniProt
- A0A0H3BVM1
- Ligands
- PO4
- Pockets
- 9 · best druggability 0.61
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Quinolinate phosphoribosyltransferase (EC 2.4.2.19) | protein | 284 | 43% helix, 20% strand | A0A0H3BVM1 |
| B | Quinolinate phosphoribosyltransferase (EC 2.4.2.19) | protein | 283 | 42% helix, 20% strand | A0A0H3BVM1 |
| C | Quinolinate phosphoribosyltransferase (EC 2.4.2.19) | protein | 283 | 42% helix, 20% strand | A0A0H3BVM1 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 19 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.61 | 0.78 | 36 | empty |
| 2 | 322 | 0.59 | 0.77 | 33 | empty |
| 3 | 294 | 0.54 | 0.75 | 49 | PO4 |
| 4 | 103 | 0.48 | 0.81 | 20 | PO4 |
| 5 | 103 | 0.48 | 0.81 | 21 | PO4 |
Interfaces
3 interfaces between chains.
- C–D · 1002 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 204 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 93 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5HUL · Crystal Structure of NadC Deletion Mutant in Cubic Space Group · 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 A0A0H3BVM1
- Elsewhere: RCSB PDB 5HUL · PDBe 5HUL · UniProt A0A0H3BVM1
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