MolNFT v1 · #159842 · protein
Crystal structure of streptomyces rapamycinicus GH74 in complex with xyloglucan fragments xllg and xxxg
6P2O · Xyloglucanase: “Crystal structure of streptomyces rapamycinicus GH74 in complex with xyloglucan fragments xllg and xxxg”. X-ray diffraction, 5 ligands (BGC, XYS, GAL), 12 pockets (best druggability 0.84). MolNFT v1 #159842 on…
- PDB
- 6P2O
- Type
- protein
- Length
- 1,454 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xyloglucanase
- UniProt
- A0A0A0NH71
- Ligands
- BGC, XYS, GAL, SO4, CL
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Xyloglucanase | protein | 727 | 3% helix, 38% strand | A0A0A0NH71 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 16 copies · chains A, B
- XYS · alpha-D-xylopyranose · sugar · 12 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- CL · Chloride ion · ion · 7 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 325 | 0.84 | 0.94 | 35 | empty |
| 2 | 386 | 0.83 | 0.92 | 37 | empty |
| 3 | 846 | 0.74 | 0.78 | 123 | BGC, XYS |
| 4 | 299 | 0.73 | 0.86 | 54 | empty |
| 5 | 391 | 0.61 | 0.77 | 62 | BGC, XYS |
Interfaces
1 interface between chains.
- A–B · 865 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6P2O · Crystal structure of Streptomyces rapamycinicus GH74 in complex with xyloglucan fragments… · 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 A0A0A0NH71
- Elsewhere: RCSB PDB 6P2O · PDBe 6P2O · UniProt A0A0A0NH71
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.