Research workbench
Acetyl xylan esterase from bacillus pumilus without ligands
Analyse Acetyl xylan esterase from bacillus pumilus without ligands in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XLB
- Type
- protein
- Length
- 3,804 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl xylan esterase
- EC
- 3.1.1.72
- UniProt
- Q9K5F2
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Acetyl xylan esterase (EC 3.1.1.72) | protein | 317 | 39% helix, 21% strand | Q9K5F2 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1024 | 0.77 | 0.79 | 82 | empty |
| 2 | 1059 | 0.76 | 0.78 | 99 | empty |
| 3 | 1073 | 0.76 | 0.78 | 89 | empty |
| 4 | 1022 | 0.76 | 0.78 | 79 | empty |
| 5 | 1050 | 0.76 | 0.78 | 86 | empty |
Interfaces
27 interfaces between chains.
- H–K · 1226 Ų buried · 32 hydrogen bonds · protein-protein
- I–L · 1226 Ų buried · 32 hydrogen bonds · protein-protein
- A–D · 1219 Ų buried · 30 hydrogen bonds · protein-protein
- B–E · 1219 Ų buried · 33 hydrogen bonds · protein-protein
- C–F · 1217 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 2XLB · Acetyl xylan esterase from Bacillus pumilus without ligands · 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 Q9K5F2
- Elsewhere: RCSB PDB 2XLB · PDBe 2XLB · UniProt Q9K5F2
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