Research workbench
BTGH84 michaelis complex
Analyse BTGH84 michaelis complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2X0H
- Type
- protein
- Length
- 1,272 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-glcnacase BT_4395
- EC
- 3.2.1.52
- UniProt
- Q89ZI2
- Ligands
- 14T, CA
- Pockets
- 20 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | O-glcnacase BT_4395 (EC 3.2.1.52) | protein | 630 | 42% helix, 19% strand | Q89ZI2 |
| B | O-glcnacase BT_4395 (EC 3.2.1.52) | protein | 642 | 41% helix, 18% strand | Q89ZI2 |
Ligands and binding sites
- 14T · 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 364 | 0.62 | 0.78 | 47 | GOL |
| 2 | 357 | 0.61 | 0.77 | 34 | empty |
| 3 | 266 | 0.58 | 0.78 | 40 | GOL |
| 4 | 87 | 0.57 | 0.86 | 19 | 14T |
| 5 | 270 | 0.56 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1101 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
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 Q89ZI2
- Elsewhere: RCSB PDB 2X0H · PDBe 2X0H · UniProt Q89ZI2
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