Research workbench
Crystal structure of BUGH2CWT
Analyse Crystal structure of BUGH2CWT in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5T9A
- Type
- protein
- Length
- 3,245 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoside hydrolase
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Glycoside hydrolase | protein | 811 | 16% helix, 39% strand | — |
| B | Glycoside hydrolase | protein | 812 | 17% helix, 37% strand | — |
| C | Glycoside hydrolase | protein | 811 | 16% helix, 38% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains B, C
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.78 | 0.99 | 26 | empty |
| 2 | 89 | 0.77 | 0.98 | 25 | empty |
| 3 | 86 | 0.77 | 0.98 | 22 | empty |
| 4 | 667 | 0.74 | 0.80 | 57 | empty |
| 5 | 81 | 0.74 | 0.97 | 24 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1334 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 580 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 468 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 215 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 106 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5T9A · Crystal structure of BuGH2Cwt · 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 5T9A · PDBe 5T9A
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