MolNFT v1 · #75737 · protein
Crystals structure of aspartate beta-semialdehyde dehydrogenase complex with NADP and D-2,3-diaminopropionate
3PZB · Aspartate-semialdehyde dehydrogenase: “Crystals structure of aspartate beta-semialdehyde dehydrogenase complex with NADP and D-2,3-diaminopropionate”. X-ray diffraction, 3 ligands (2RA, NAP, NA), 4 pockets (best druggability 0.67).…
- PDB
- 3PZB
- Type
- protein
- Length
- 716 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
- A5MTN0
- Ligands
- 2RA, NAP, NA
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 357 | 34% helix, 23% strand | A5MTN0 |
| B | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 359 | 34% helix, 24% strand | A5MTN0 |
Ligands and binding sites
- 2RA · 3-amino-D-alanine · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 448 | 0.67 | 0.79 | 51 | 2RA, NAP |
| 2 | 408 | 0.64 | 0.79 | 50 | 2RA, NAP |
| 3 | 121 | 0.44 | 0.77 | 24 | EDO |
| 4 | 157 | 0.44 | 0.75 | 29 | EDO |
Interfaces
1 interface between chains.
- A–B · 2945 Ų buried · 62 hydrogen bonds · protein-protein
Compared structures
- 3PZB · Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and… · the same entry in another collection · 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 A5MTN0
- Elsewhere: RCSB PDB 3PZB · PDBe 3PZB · UniProt A5MTN0
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