MolNFT v1 · #48682 · protein
Crystal structure of a putative gamma-carboxymuconolactone decarboxylase subunit (BXE_B0980) from burkholderia xenovorans LB400 at 1.70 a resolution
2Q0T: “Crystal structure of a putative gamma-carboxymuconolactone decarboxylase subunit (BXE_B0980) from…”. X-ray diffraction, 7 pockets (best druggability 0.77). MolNFT v1 #48682 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2Q0T
- Type
- protein
- Length
- 756 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative gamma-carboxymuconolactone decarboxylase subunit
- UniProt
- Q13LR5
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative gamma-carboxymuconolactone decarboxylase subunit | protein | 258 | 75% helix, 0% strand | Q13LR5 |
| B, C | Putative gamma-carboxymuconolactone decarboxylase subunit | protein | 249 | 78% helix, 0% strand | Q13LR5 |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.77 | 0.96 | 24 | empty |
| 2 | 128 | 0.77 | 0.95 | 27 | empty |
| 3 | 163 | 0.74 | 0.91 | 30 | empty |
| 4 | 255 | 0.64 | 0.82 | 35 | empty |
| 5 | 203 | 0.52 | 0.77 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2358 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 2096 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 2052 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 2Q0T · Crystal structure of a putative gamma-carboxymuconolactone decarboxylase subunit… · 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 Q13LR5
- Elsewhere: RCSB PDB 2Q0T · PDBe 2Q0T · UniProt Q13LR5
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