MolNFT v1 · #53574 · protein
High resolution crystallographic structure of the clostridium thermocellum N-terminal endo-1,4-beta-D-xylanase 10B (XYN10B) CBM22- 1- GH10 modules complexed with xylohexaose
2WYS · Endo-1,4-beta-xylanase Y: “High resolution crystallographic structure of the clostridium thermocellum N-terminal…”. X-ray diffraction, 3 ligands (XYP, CA, PO4), 7 pockets (best druggability 0.78). MolNFT v1 #53574 on GenesisL1: 3D…
- PDB
- 2WYS
- Type
- protein
- Length
- 1,029 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-1,4-beta-xylanase Y
- EC
- 3.2.1.8
- UniProt
- P51584
- Ligands
- XYP, CA, PO4
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-1,4-beta-xylanase Y (EC 3.2.1.8) | protein | 513 | 28% helix, 27% strand | P51584 |
| B | Endo-1,4-beta-xylanase Y (EC 3.2.1.8) | protein | 516 | 28% helix, 28% strand | P51584 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 6 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 271 | 0.78 | 0.91 | 41 | PO4 |
| 2 | 626 | 0.72 | 0.79 | 49 | XYP |
| 3 | 617 | 0.69 | 0.78 | 46 | XYP |
| 4 | 489 | 0.63 | 0.76 | 54 | empty |
| 5 | 465 | 0.61 | 0.76 | 53 | empty |
Interfaces
1 interface between chains.
- A–B · 832 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 2WYS · High resolution crystallographic structure of the Clostridium thermocellum N-terminal… · the same entry in another collection · chain B against B, TM-score 1.00
- P51584 · AlphaFold monomer V2.0 prediction for endo-1,4-beta-xylanase Y (P51584) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P51584
- Elsewhere: RCSB PDB 2WYS · PDBe 2WYS · UniProt P51584
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.