MolNFT v1 · #136143 · protein
Crystal structure of NAD-dependent aldehyde dehydrogenase from burkholderia multivorans
5UJU: “Crystal structure of NAD-dependent aldehyde dehydrogenase from burkholderia multivorans”. X-ray diffraction, 1 ligand (NA), 10 pockets (best druggability 0.81). MolNFT v1 #136143 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5UJU
- Type
- protein
- Length
- 1,115 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD-dependent aldehyde dehydrogenase
- EC
- 1.2.1.3
- UniProt
- A0A0H3KBY8
- Ligands
- NA
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD-dependent aldehyde dehydrogenase (EC 1.2.1.3) | protein | 558 | 45% helix, 20% strand | A0A0H3KBY8 |
| B | NAD-dependent aldehyde dehydrogenase (EC 1.2.1.3) | protein | 557 | 45% helix, 20% strand | A0A0H3KBY8 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
- IMD · Imidazole · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1061 | 0.81 | 0.83 | 101 | empty |
| 2 | 332 | 0.72 | 0.84 | 47 | EDO |
| 3 | 331 | 0.72 | 0.84 | 45 | EDO |
| 4 | 428 | 0.71 | 0.82 | 59 | NA, IMD |
| 5 | 71 | 0.70 | 0.96 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2976 Ų buried · 54 hydrogen bonds · protein-protein
Compared structures
- 5UJU · Crystal structure of NAD-dependent aldehyde dehydrogenase from Burkholderia multivorans · 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 A0A0H3KBY8
- Elsewhere: RCSB PDB 5UJU · PDBe 5UJU · UniProt A0A0H3KBY8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.