MolNFT v1 · #151869 · protein
Structure of quinolinate synthase in complex with 4-mercaptophthalic acid
6I0K · Quinolinate synthase a: “Structure of quinolinate synthase in complex with 4-mercaptophthalic acid”. X-ray diffraction, 4 ligands (SF4, GZ8, PO4), 2 pockets (best druggability 0.73). MolNFT v1 #151869 on GenesisL1: 3D structure…
- PDB
- 6I0K
- Type
- protein
- Length
- 301 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, GZ8, PO4, CL
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Quinolinate synthase a (EC 2.5.1.72) | protein | 301 | 46% helix, 16% strand | Q9X1X7 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains A
- GZ8 · 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.73 | 0.91 | 34 | SF4, GZ8 |
| 2 | 65 | 0.29 | 0.74 | 14 | empty |
Compared structures
- 6I0K · Structure of quinolinate synthase in complex with 4-mercaptophthalic acid · 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 6I0K · PDBe 6I0K · UniProt Q9X1X7
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