MolNFT v1 · #30959 · protein
Crystal structure of the gamma-carboxymuconolactone decarboxylase from methanobacterium thermoautotrophicum. northeast structural genomics consortium target TT747.
2AF7: “Crystal structure of the gamma-carboxymuconolactone decarboxylase from methanobacterium thermoautotrophicum.…”. X-ray diffraction, 11 pockets (best druggability 0.82). MolNFT v1 #30959 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2AF7
- Type
- protein
- Length
- 1,074 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gamma-carboxymuconolactone decarboxylase
- EC
- 4.1.1.44
- UniProt
- O26336
- Pockets
- 11 · best druggability 0.82
Structure
x-ray diffraction · 6 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gamma-carboxymuconolactone decarboxylase (EC 4.1.1.44) | protein | 119 | 80% helix, 0% strand | O26336 |
| B, C, G | Gamma-carboxymuconolactone decarboxylase (EC 4.1.1.44) | protein | 118 | 71% helix, 0% strand | O26336 |
| D | Gamma-carboxymuconolactone decarboxylase (EC 4.1.1.44) | protein | 122 | 75% helix, 0% strand | O26336 |
| E | Gamma-carboxymuconolactone decarboxylase (EC 4.1.1.44) | protein | 120 | 71% helix, 0% strand | O26336 |
| F, I | Gamma-carboxymuconolactone decarboxylase (EC 4.1.1.44) | protein | 120 | 73% helix, 0% strand | O26336 |
| H | Gamma-carboxymuconolactone decarboxylase (EC 4.1.1.44) | protein | 119 | 76% helix, 0% strand | O26336 |
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 739 | 0.82 | 0.86 | 74 | empty |
| 2 | 241 | 0.75 | 0.89 | 26 | empty |
| 3 | 249 | 0.74 | 0.88 | 27 | empty |
| 4 | 192 | 0.71 | 0.88 | 24 | empty |
| 5 | 505 | 0.70 | 0.80 | 57 | empty |
Interfaces
21 interfaces between chains.
- D–I · 1357 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1339 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 1333 Ų buried · 10 hydrogen bonds · protein-protein
- G–H · 1314 Ų buried · 15 hydrogen bonds · protein-protein
- A–H · 695 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 39 modified (engineered).
Compared structures
- 2AF7 · Crystal structure of the gamma-carboxymuconolactone decarboxylase from Methanobacterium… · 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 O26336
- Elsewhere: RCSB PDB 2AF7 · PDBe 2AF7 · UniProt O26336
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