MolNFT v1 · #28781 · protein
Escherichia COLI ketopantoate reductase in complex with 2- monophosphoadenosine-5'-diphosphate
1YON · 2-dehydropantoate 2-reductase: “Escherichia COLI ketopantoate reductase in complex with 2- monophosphoadenosine-5'-diphosphate”. X-ray diffraction, 1 ligand (A2R), 1 pocket (best druggability 0.71). MolNFT v1 #28781 on GenesisL1: 3D…
- PDB
- 1YON
- Type
- protein
- Length
- 292 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-dehydropantoate 2-reductase
- EC
- 1.1.1.169
- UniProt
- P0A9J4
- Ligands
- A2R
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-dehydropantoate 2-reductase (EC 1.1.1.169) | protein | 292 | 46% helix, 20% strand | P0A9J4 |
Ligands and binding sites
- A2R · [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate · ligand · 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 | 766 | 0.71 | 0.77 | 51 | A2R |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 P0A9J4
- Elsewhere: RCSB PDB 1YON · PDBe 1YON · UniProt P0A9J4
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