MolNFT v1 · #121264 · protein
A glycoside hydrolase family 97 enzyme from pseudoalteromonas sp. strain K8
5HQ4 · Alpha-glucosidase: “A glycoside hydrolase family 97 enzyme from pseudoalteromonas sp. strain K8”. X-ray diffraction, 4 ligands (CA, MG, CL), 7 pockets (best druggability 0.76). MolNFT v1 #121264 on GenesisL1: 3D structure, binding…
- PDB
- 5HQ4
- Type
- protein
- Length
- 662 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-glucosidase
- UniProt
- A0A0Y0DFX2
- Ligands
- CA, MG, CL, UNX
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-glucosidase | protein | 662 | 18% helix, 37% strand | A0A0Y0DFX2 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- UNX · Unknown atom or ion · ion · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- FMT · Formic acid · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 108 | 0.76 | 0.96 | 27 | empty |
| 2 | 191 | 0.56 | 0.79 | 31 | GOL |
| 3 | 56 | 0.44 | 0.83 | 17 | empty |
| 4 | 51 | 0.43 | 0.84 | 17 | empty |
| 5 | 117 | 0.37 | 0.74 | 20 | empty |
Compared structures
- 5HQ4 · A Glycoside Hydrolase Family 97 enzyme from Pseudoalteromonas sp. strain K8 · 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
- Every structure of UniProt A0A0Y0DFX2
- Elsewhere: RCSB PDB 5HQ4 · PDBe 5HQ4 · UniProt A0A0Y0DFX2
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