MolNFT v1 · #92924 · protein
Mouse SMP30/GNL-glucose complex
4GN9 · Regucalcin: “Mouse SMP30/GNL-glucose complex”. X-ray diffraction, 3 ligands (BGC, CA, SO4), 6 pockets (best druggability 0.79). MolNFT v1 #92924 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4GN9
- Type
- protein
- Length
- 594 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Regucalcin
- EC
- 3.1.1.17
- UniProt
- Q64374
- Ligands
- BGC, CA, SO4
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Regucalcin (EC 3.1.1.17) | protein | 297 | 7% helix, 56% strand | Q64374 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 8 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.79 | 0.97 | 26 | empty |
| 2 | 118 | 0.79 | 0.97 | 32 | empty |
| 3 | 460 | 0.73 | 0.83 | 57 | SO4, BGC |
| 4 | 80 | 0.73 | 0.96 | 18 | empty |
| 5 | 92 | 0.47 | 0.81 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 870 Ų buried · 17 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 Q64374
- Elsewhere: RCSB PDB 4GN9 · PDBe 4GN9 · UniProt Q64374
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