MolNFT v1 · #58888 · protein
Structural studies of acetoacetate decarboxylase
3BH2: “Structural studies of acetoacetate decarboxylase”. X-ray diffraction, 14 pockets (best druggability 0.78). MolNFT v1 #58888 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3BH2
- Type
- protein
- Length
- 976 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetoacetate decarboxylase
- EC
- 4.1.1.4
- UniProt
- P23670
- Pockets
- 14 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Acetoacetate decarboxylase (EC 4.1.1.4) | protein | 244 | 13% helix, 53% strand | P23670 |
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.78 | 0.96 | 35 | empty |
| 2 | 107 | 0.78 | 0.97 | 30 | empty |
| 3 | 209 | 0.76 | 0.90 | 49 | empty |
| 4 | 76 | 0.73 | 0.97 | 25 | empty |
| 5 | 974 | 0.71 | 0.75 | 78 | empty |
Interfaces
5 interfaces between chains.
- A–C · 2741 Ų buried · 37 hydrogen bonds · protein-protein
- A–D · 583 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 575 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 564 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 386 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
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 P23670
- Elsewhere: RCSB PDB 3BH2 · PDBe 3BH2 · UniProt P23670
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