MolNFT v1 · #1506 · protein
Xylanase from penicillium simplicissimum, complex with xylotriose
1B3X · Protein (xylanase): “Xylanase from penicillium simplicissimum, complex with xylotriose”. X-ray diffraction, 1 ligand (XYP), 1 pocket (best druggability 0.29). MolNFT v1 #1506 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1B3X
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (xylanase)
- EC
- 3.2.1.8
- Ligands
- XYP
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (xylanase) (EC 3.2.1.8) | protein | 302 | 44% helix, 19% strand | — |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.29 | 0.75 | 14 | XYP |
Modifications
Observed in the structure: 1 disulfide, 1 modified (disulfide, cyclization).
Compared structures
- 1B3X · Xylanase from penicillium simplicissimum, complex with xylotriose · 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
- Elsewhere: RCSB PDB 1B3X · PDBe 1B3X
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