Research workbench
Crystal structure of BUGH86WT
Analyse Crystal structure of BUGH86WT in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TA1
- Type
- protein
- Length
- 627 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoside hydrolase
- Ligands
- CA
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycoside hydrolase | protein | 627 | 26% helix, 32% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 409 | 0.72 | 0.83 | 35 | CA |
| 2 | 464 | 0.62 | 0.76 | 52 | GOL, EDO |
| 3 | 104 | 0.44 | 0.78 | 18 | empty |
| 4 | 60 | 0.44 | 0.83 | 20 | empty |
| 5 | 81 | 0.37 | 0.77 | 15 | empty |
Compared structures
- 5TA1 · Crystal structure of BuGH86wt · 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 5TA1 · PDBe 5TA1
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