MolNFT v1 · #38460 · protein
Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with 2',5'-ADP
2GZ2 · Aspartate beta-semialdehyde dehydrogenase: “Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with…”. X-ray diffraction, 1 ligand (A2P), 4 pockets (best druggability 0.65). MolNFT v1…
- PDB
- 2GZ2
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate beta-semialdehyde dehydrogenase
- EC
- 1.2.1.11
- UniProt
- Q8DQ00
- Ligands
- A2P
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aspartate beta-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 357 | 34% helix, 24% strand | Q8DQ00 |
Ligands and binding sites
- A2P · Adenosine-2'-5'-diphosphate · ligand · 2 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 | 424 | 0.65 | 0.79 | 48 | A2P |
| 2 | 432 | 0.65 | 0.78 | 51 | A2P |
| 3 | 140 | 0.45 | 0.76 | 24 | empty |
| 4 | 144 | 0.43 | 0.75 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 2915 Ų buried · 62 hydrogen bonds · protein-protein
Compared structures
- 2GZ2 · Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae… · 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 Q8DQ00
- Elsewhere: RCSB PDB 2GZ2 · PDBe 2GZ2 · UniProt Q8DQ00
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