MolNFT v1 · #118490 · protein
Structure of quinolinate synthase in complex with reaction intermediate W
5F3D · Quinolinate synthase a: “Structure of quinolinate synthase in complex with reaction intermediate W”. X-ray diffraction, 3 ligands (SF4, 5UK, SO4), 1 pocket (best druggability 0.74). MolNFT v1 #118490 on GenesisL1: 3D structure…
- PDB
- 5F3D
- Type
- protein
- Length
- 303 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quinolinate synthase a
- EC
- 2.5.1.72
- UniProt
- Q9X1X7
- Ligands
- SF4, 5UK, SO4
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Quinolinate synthase a (EC 2.5.1.72) | protein | 303 | 45% helix, 16% strand | Q9X1X7 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains A
- 5UK · 2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.74 | 0.93 | 32 | SF4, 5UK |
Compared structures
- 5F3D · Structure of quinolinate synthase in complex with reaction intermediate W · the same entry in another collection · chain A against A, TM-score 1.00
- Q9X1X7 · AlphaFold monomer V2.0 prediction for quinolinate synthase a (Q9X1X7) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9X1X7
- Elsewhere: RCSB PDB 5F3D · PDBe 5F3D · UniProt Q9X1X7
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