MolNFT v1 · #157571 · protein
Sheep galectin-11 (LGALS11) complex with galactose
6N3R: “Sheep galectin-11 (LGALS11) complex with galactose”. X-ray diffraction, 1 ligand (GAL), 14 pockets (best druggability 0.80). MolNFT v1 #157571 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6N3R
- Type
- protein
- Length
- 1,081 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin
- UniProt
- A0A0A7EMW6
- Ligands
- GAL
- Pockets
- 14 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 2% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Galectin | protein | 139 | 2% helix, 56% strand | A0A0A7EMW6 |
| B, D, E, F, H | Galectin | protein | 135 | 2% helix, 59% strand | A0A0A7EMW6 |
| C | Galectin | protein | 136 | 2% helix, 58% strand | A0A0A7EMW6 |
| G | Galectin | protein | 131 | 2% helix, 60% strand | A0A0A7EMW6 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 5 copies · chains B, C, D, A, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1119 | 0.80 | 0.81 | 89 | empty |
| 2 | 579 | 0.66 | 0.77 | 56 | empty |
| 3 | 141 | 0.49 | 0.78 | 27 | empty |
| 4 | 149 | 0.43 | 0.75 | 20 | empty |
| 5 | 123 | 0.43 | 0.77 | 27 | empty |
Interfaces
11 interfaces between chains.
- A–E · 657 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 656 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 557 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 468 Ų buried · 7 hydrogen bonds · protein-protein
- F–H · 439 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6N3R · Sheep Galectin-11 (LGALS11) complex with galactose · 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 A0A0A7EMW6
- Elsewhere: RCSB PDB 6N3R · PDBe 6N3R · UniProt A0A0A7EMW6
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