MolNFT v1 · #26665 · protein
Agrocybe cylindracea galectin complexed with lactose
1WW6: “Agrocybe cylindracea galectin complexed with lactose”. X-ray diffraction, 2 ligands (BGC, GAL), 5 pockets (best druggability 0.71). MolNFT v1 #26665 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1WW6
- Type
- protein
- Length
- 640 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin
- Ligands
- BGC, GAL
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Galectin | protein | 160 | 3% helix, 52% strand | — |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 982 | 0.71 | 0.75 | 110 | empty |
| 2 | 88 | 0.43 | 0.79 | 20 | empty |
| 3 | 80 | 0.37 | 0.77 | 25 | empty |
| 4 | 65 | 0.37 | 0.78 | 23 | empty |
| 5 | 127 | 0.36 | 0.73 | 25 | empty |
Interfaces
4 interfaces between chains.
- B–C · 990 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 980 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 348 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 188 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1WW6 · Agrocybe cylindracea galectin complexed with lactose · the same entry in another collection · chain B against B, 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
- Elsewhere: RCSB PDB 1WW6 · PDBe 1WW6
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