MolNFT v1 · #95292 · protein
Structure of the dioxygenase domain of SACTE_2871, a novel dioxygenase carbohydrate-binding protein fusion from the cellulolytic bacterium streptomyces sp. sirexaa-E
4ILT · Intradiol ring-cleavage dioxygenase: “Structure of the dioxygenase domain of SACTE_2871, a novel dioxygenase carbohydrate-binding protein fusion…”. X-ray diffraction, 2 ligands (FE, CL), 3 pockets (best druggability 0.53). MolNFT v1…
- PDB
- 4ILT
- Type
- protein
- Length
- 617 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intradiol ring-cleavage dioxygenase
- UniProt
- G2NEL6
- Ligands
- FE, CL
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Intradiol ring-cleavage dioxygenase | protein | 154 | 6% helix, 34% strand | G2NEL6 |
| C | Intradiol ring-cleavage dioxygenase | protein | 155 | 6% helix, 34% strand | G2NEL6 |
| D | Intradiol ring-cleavage dioxygenase | protein | 154 | 6% helix, 34% strand | G2NEL6 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.53 | 0.75 | 46 | empty |
| 2 | 274 | 0.51 | 0.74 | 42 | empty |
| 3 | 98 | 0.41 | 0.77 | 27 | empty |
Interfaces
6 interfaces between chains.
- A–B · 688 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 256 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 210 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 37 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 18 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4ILT · Structure of the dioxygenase domain of SACTE_2871, a novel dioxygenase… · 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 G2NEL6
- Elsewhere: RCSB PDB 4ILT · PDBe 4ILT · UniProt G2NEL6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.