Research workbench
BTGH84 D243N in complex with 5F-oxazoline
Analyse BTGH84 D243N in complex with 5F-oxazoline in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WZI
- Type
- protein
- Length
- 1,276 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
- 5FN, CA, NA
- Pockets
- 20 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | O-glcnacase BT_4395 (EC 3.2.1.52) | protein | 640 | 42% helix, 19% strand | Q89ZI2 |
| B | O-glcnacase BT_4395 (EC 3.2.1.52) | protein | 636 | 42% helix, 18% strand | Q89ZI2 |
Ligands and binding sites
- 5FN · (3as,5s,6s,7r,7ar)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d][1,3]oxazole-6,7-diol · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains B
- GOL · Glycerol · additive · 5 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 | 479 | 0.68 | 0.79 | 53 | empty |
| 2 | 456 | 0.64 | 0.77 | 54 | GOL |
| 3 | 285 | 0.58 | 0.77 | 34 | GOL |
| 4 | 87 | 0.57 | 0.86 | 21 | 5FN |
| 5 | 81 | 0.57 | 0.86 | 20 | 5FN |
Interfaces
1 interface between chains.
- A–B · 1077 Ų buried · 27 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 2WZI · PDBe 2WZI · UniProt Q89ZI2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.