MolNFT v1 · #16380 · protein
Crystal structure of aspartate semialdehyde dehydrogenase from haemophilus influenzae as a tetrahedral hemithiocetal reaction intermediate with phosphate at 2.15 a
1NX6 · Aspartate-semialdehyde dehydrogenase: “Crystal structure of aspartate semialdehyde dehydrogenase from haemophilus influenzae as a tetrahedral…”. X-ray diffraction, 1 ligand (PO4), 1 pocket (best druggability 0.53). MolNFT v1 #16380…
- PDB
- 1NX6
- Type
- protein
- Length
- 357 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate-semialdehyde dehydrogenase
- EC
- 1.2.1.11
- UniProt
- P44801
- Ligands
- PO4
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 357 | 42% helix, 23% strand | P44801 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 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 | 266 | 0.53 | 0.76 | 40 | PO4 |
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 1NX6 · Crystal Structure of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae as… · the same entry in another collection · chain A against A, TM-score 1.00
- P44801 · AlphaFold monomer V2.0 prediction for aspartate-semialdehyde dehydrogenase (P44801) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P44801
- Elsewhere: RCSB PDB 1NX6 · PDBe 1NX6 · UniProt P44801
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