Research workbench
Crystal structure of a type-a feruloyl esterase from gut alistipes shahii
Analyse Crystal structure of a type-a feruloyl esterase from gut alistipes shahii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DQ9
- Type
- protein
- Length
- 1,056 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Predicted hydrolases or acyltransferases (ALPHA/BETA hydrolase superfamily)
- UniProt
- D4INH0
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Predicted hydrolases or acyltransferases (ALPHA/BETA hydrolase superfamily) | protein | 265 | 46% helix, 18% strand | D4INH0 |
| C | Predicted hydrolases or acyltransferases (ALPHA/BETA hydrolase superfamily) | protein | 261 | 44% helix, 18% strand | D4INH0 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.72 | 0.82 | 43 | empty |
| 2 | 290 | 0.69 | 0.84 | 42 | empty |
| 3 | 302 | 0.69 | 0.83 | 41 | empty |
| 4 | 396 | 0.67 | 0.80 | 40 | empty |
| 5 | 243 | 0.56 | 0.78 | 33 | empty |
Interfaces
3 interfaces between chains.
- B–D · 383 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 338 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 211 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7DQ9 · Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii · 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 D4INH0
- Elsewhere: RCSB PDB 7DQ9 · PDBe 7DQ9 · UniProt D4INH0
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