MolNFT v1 · #18885 · protein
Crystal structure of the E243D mutant of aspartate semialdehyde dehydrogenase from haemophilus influenzae bound with substrate aspartate semialdehyde
1Q2X · Aspartate-semialdehyde dehydrogenase: “Crystal structure of the E243D mutant of aspartate semialdehyde dehydrogenase from haemophilus influenzae…”. X-ray diffraction, 6 pockets (best druggability 0.59). MolNFT v1 #18885 on…
- PDB
- 1Q2X
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate-semialdehyde dehydrogenase
- EC
- 1.2.1.11
- UniProt
- P44801
- Pockets
- 6 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 357 | 41% helix, 22% strand | P44801 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.59 | 0.77 | 39 | empty |
| 2 | 332 | 0.58 | 0.76 | 39 | empty |
| 3 | 80 | 0.36 | 0.76 | 15 | empty |
| 4 | 64 | 0.31 | 0.75 | 15 | empty |
| 5 | 60 | 0.30 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 3550 Ų buried · 44 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 1Q2X · Crystal Structure of the E243D Mutant of Aspartate Semialdehyde Dehydrogenase from… · 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 B 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 1Q2X · PDBe 1Q2X · UniProt P44801
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