MolNFT v1 · #85644 · protein
A complex structure of BTGH84
4AIU · O-glcnacase BT_4395: “A complex structure of BTGH84”. X-ray diffraction, 2 ligands (GC3, CA), 8 pockets (best druggability 0.55). MolNFT v1 #85644 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4AIU
- Type
- protein
- Length
- 576 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-glcnacase BT_4395
- EC
- 3.2.1.52, 3.2.1.169
- UniProt
- Q89ZI2
- Ligands
- GC3, CA
- Pockets
- 8 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | O-glcnacase BT_4395 (EC 3.2.1.52, 3.2.1.169) | protein | 576 | 46% helix, 14% strand | Q89ZI2 |
Ligands and binding sites
- GC3 · (3ar,5r,6s,7r,7ar)-2,5-bis(hydroxymethyl)-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d][1,3]oxazole-6,7-diol · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.55 | 0.84 | 20 | GC3 |
| 2 | 70 | 0.38 | 0.78 | 17 | empty |
| 3 | 128 | 0.38 | 0.73 | 19 | empty |
| 4 | 83 | 0.36 | 0.76 | 22 | empty |
| 5 | 80 | 0.34 | 0.74 | 18 | empty |
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 4AIU · PDBe 4AIU · UniProt Q89ZI2
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