MolNFT v1 · #22606 · protein
Crystal structure of aspartate-semialdehyde dehydrogenase from haemophilus influenzae with a bound arsenate
1TA4: “Crystal structure of aspartate-semialdehyde dehydrogenase from haemophilus influenzae with a bound arsenate”. X-ray diffraction, 1 ligand (ART), 1 pocket (best druggability 0.54). MolNFT v1 #22606 on GenesisL1: 3D structure, binding…
- PDB
- 1TA4
- 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
- ART
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 357 | 41% helix, 23% strand | P44801 |
Ligands and binding sites
- ART · Arsenate · ligand · 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 | 277 | 0.54 | 0.76 | 36 | ART |
Compared structures
- 1TA4 · Crystal Structure Of Aspartate-Semialdehyde Dehydrogenase From Haemophilus Influenzae… · 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 1TA4 · PDBe 1TA4 · UniProt P44801
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