MolNFT v1 · #174592 · protein
Crystal structure of azospirillum brasilense L-2-keto-3-deoxyarabonate dehydratase (2-oxobutyrate-bound form)
7C0E: “Crystal structure of azospirillum brasilense L-2-keto-3-deoxyarabonate dehydratase (2-oxobutyrate-bound form)”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #174592 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7C0E
- Type
- protein
- Length
- 3,637 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-2-keto-3-deoxyarabonate dehydratase
- EC
- 4.2.1.43
- UniProt
- Q1JUQ0
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, I, J | L-2-keto-3-deoxyarabonate dehydratase (EC 4.2.1.43) | protein | 304 | 51% helix, 12% strand | Q1JUQ0 |
| B, F | L-2-keto-3-deoxyarabonate dehydratase (EC 4.2.1.43) | protein | 302 | 52% helix, 12% strand | Q1JUQ0 |
| D, G, H, K | L-2-keto-3-deoxyarabonate dehydratase (EC 4.2.1.43) | protein | 303 | 53% helix, 12% strand | Q1JUQ0 |
| L | L-2-keto-3-deoxyarabonate dehydratase (EC 4.2.1.43) | protein | 301 | 51% helix, 12% strand | Q1JUQ0 |
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.85 | 0.96 | 42 | empty |
| 2 | 305 | 0.85 | 0.96 | 44 | empty |
| 3 | 325 | 0.85 | 0.95 | 43 | empty |
| 4 | 310 | 0.85 | 0.95 | 43 | empty |
| 5 | 285 | 0.85 | 0.96 | 45 | empty |
Interfaces
22 interfaces between chains.
- C–D · 1628 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1626 Ų buried · 21 hydrogen bonds · protein-protein
- I–J · 1619 Ų buried · 25 hydrogen bonds · protein-protein
- G–H · 1615 Ų buried · 21 hydrogen bonds · protein-protein
- K–L · 1612 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (nonstandard).
Compared structures
- 7C0E · Crystal structure of Azospirillum brasilense L-2-keto-3-deoxyarabonate dehydratase… · the same entry in another collection · chain L against L, 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 Q1JUQ0
- Elsewhere: RCSB PDB 7C0E · PDBe 7C0E · UniProt Q1JUQ0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.