MolNFT v1 · #98278 · protein
The MUTANT(E139A) structure in complex with xylotriose
4L4P · Endo-1,4-beta-xylanase: “The MUTANT(E139A) structure in complex with xylotriose”. X-ray diffraction, 1 ligand (XYP), 2 pockets (best druggability 0.58). MolNFT v1 #98278 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4L4P
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-1,4-beta-xylanase
- EC
- 3.2.1.8
- UniProt
- B9MMA5
- Ligands
- XYP
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-1,4-beta-xylanase (EC 3.2.1.8) | protein | 328 | 40% helix, 20% strand | B9MMA5 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.58 | 0.79 | 38 | XYP |
| 2 | 59 | 0.32 | 0.76 | 13 | empty |
Compared structures
- 4L4P · the mutant(E139A) structure in 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
- Every structure of UniProt B9MMA5
- Elsewhere: RCSB PDB 4L4P · PDBe 4L4P · UniProt B9MMA5
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