MolNFT v1 · #115265 · protein
Cystal structure of aspartate semialdehyde dehydrogenase from cryptococcus neoformans
5CEF · Aspartate-semialdehyde dehydrogenase: “Cystal structure of aspartate semialdehyde dehydrogenase from cryptococcus neoformans”. X-ray diffraction, 13 pockets (best druggability 0.80). MolNFT v1 #115265 on GenesisL1: 3D structure…
- PDB
- 5CEF
- Type
- protein
- Length
- 1,436 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate-semialdehyde dehydrogenase
- EC
- 1.2.1.11
- UniProt
- Q5KPK7
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 359 | 32% helix, 23% strand | Q5KPK7 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1090 | 0.80 | 0.82 | 108 | empty |
| 2 | 68 | 0.75 | 0.99 | 18 | empty |
| 3 | 529 | 0.74 | 0.82 | 62 | empty |
| 4 | 452 | 0.72 | 0.82 | 49 | empty |
| 5 | 155 | 0.41 | 0.74 | 27 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1820 Ų buried · 37 hydrogen bonds · protein-protein
- C–D · 1813 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 534 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 528 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 360 Ų buried · 1 hydrogen bond · protein-protein
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 Q5KPK7
- Elsewhere: RCSB PDB 5CEF · PDBe 5CEF · UniProt Q5KPK7
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