MolNFT v1 · #22408 · protein
1.6 ångström structure of esherichia COLI aspartate-semialdehyde dehydrogenase.
1T4B: “1.6 ångström structure of esherichia COLI aspartate-semialdehyde dehydrogenase.”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.62). MolNFT v1 #22408 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1T4B
- Type
- protein
- Length
- 734 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
- P0A9Q9
- Ligands
- NA
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 367 | 42% helix, 21% strand | P0A9Q9 |
Ligands and binding sites
- NA · Sodium ion · metal · 5 copies · chains A, B
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 | 418 | 0.62 | 0.77 | 50 | empty |
| 2 | 343 | 0.60 | 0.77 | 40 | empty |
| 3 | 56 | 0.27 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 3623 Ų buried · 57 hydrogen bonds · protein-protein
Compared structures
- 1T4B · 1.6 Angstrom structure of Esherichia coli aspartate-semialdehyde dehydrogenase. · the same entry in another collection · chain A against A, TM-score 1.00
- P0A9Q9 · AlphaFold monomer V2.0 prediction for aspartate-semialdehyde dehydrogenase (P0A9Q9) · a predicted model of the same protein · 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 P0A9Q9
- Elsewhere: RCSB PDB 1T4B · PDBe 1T4B · UniProt P0A9Q9
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