Research workbench
Crystal structure of a putative acetyl xylan esterase (BF1801) from bacteroides fragilis nctc 9343 at 2.30 a resolution
Analyse Crystal structure of a putative acetyl xylan esterase (BF1801) from bacteroides… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NUZ
- Type
- protein
- Length
- 2,325 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative acetyl xylan esterase
- UniProt
- Q5LEF1
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Putative acetyl xylan esterase | protein | 388 | 39% helix, 16% strand | Q5LEF1 |
| B, D | Putative acetyl xylan esterase | protein | 389 | 39% helix, 16% strand | Q5LEF1 |
| E | Putative acetyl xylan esterase | protein | 385 | 38% helix, 16% strand | Q5LEF1 |
| F | Putative acetyl xylan esterase | protein | 386 | 39% helix, 16% strand | Q5LEF1 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1159 | 0.79 | 0.81 | 96 | empty |
| 2 | 1144 | 0.69 | 0.74 | 105 | empty |
| 3 | 204 | 0.61 | 0.82 | 33 | empty |
| 4 | 173 | 0.58 | 0.82 | 31 | empty |
| 5 | 182 | 0.54 | 0.79 | 26 | empty |
Interfaces
7 interfaces between chains.
- A–B · 3423 Ų buried · 53 hydrogen bonds · protein-protein
- E–F · 3409 Ų buried · 55 hydrogen bonds · protein-protein
- C–D · 3395 Ų buried · 56 hydrogen bonds · protein-protein
- B–C · 732 Ų buried · 4 hydrogen bonds · protein-protein
- C–E · 218 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 60 modified (engineered).
Compared structures
- 3NUZ · Crystal structure of a putative acetyl xylan esterase (BF1801) from Bacteroides fragilis… · 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 Q5LEF1
- Elsewhere: RCSB PDB 3NUZ · PDBe 3NUZ · UniProt Q5LEF1
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