MolNFT v1 · #49779 · protein
Crystal structure of 2-dehydropantoate 2-reductase from porphyromonas gingivalis W83
2QYT: “Crystal structure of 2-dehydropantoate 2-reductase from porphyromonas gingivalis W83”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.54). MolNFT v1 #49779 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2QYT
- Type
- protein
- Length
- 287 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-dehydropantoate 2-reductase
- UniProt
- Q7MT04
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-dehydropantoate 2-reductase | protein | 287 | 46% helix, 23% strand | Q7MT04 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.54 | 0.86 | 27 | empty |
| 2 | 295 | 0.53 | 0.75 | 36 | SO4, EDO |
| 3 | 168 | 0.44 | 0.74 | 22 | empty |
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2QYT · Crystal structure of 2-dehydropantoate 2-reductase from Porphyromonas gingivalis W83 · 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 Q7MT04
- Elsewhere: RCSB PDB 2QYT · PDBe 2QYT · UniProt Q7MT04
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