MolNFT v1 · #149668 · protein
Structure of the Y21F variant of quinolinate synthase in complex with phthalate
6G74 · Quinolinate synthase a: “Structure of the Y21F variant of quinolinate synthase in complex with phthalate”. X-ray diffraction, 2 ligands (SF4, PHT), 6 pockets (best druggability 0.73). MolNFT v1 #149668 on GenesisL1: 3D structure…
- PDB
- 6G74
- Type
- protein
- Length
- 608 residues
- Chains
- 2
- 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, PHT
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Quinolinate synthase a (EC 2.5.1.72) | protein | 304 | 47% helix, 16% strand | Q9X1X7 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- PHT · Phthalic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 148 | 0.73 | 0.91 | 34 | SF4, PHT |
| 2 | 240 | 0.70 | 0.85 | 43 | SF4, PHT |
| 3 | 331 | 0.66 | 0.81 | 44 | empty |
| 4 | 138 | 0.47 | 0.78 | 22 | empty |
| 5 | 99 | 0.45 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 857 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6G74 · Structure of the Y21F variant of quinolinate synthase in complex with phthalate · 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 0.97
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 6G74 · PDBe 6G74 · UniProt Q9X1X7
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