MolNFT v1 · #157583 · protein
Sheep galectin-11 (LGALS11) complex with glycerol
6N44: “Sheep galectin-11 (LGALS11) complex with glycerol”. X-ray diffraction, 13 pockets (best druggability 0.82). MolNFT v1 #157583 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6N44
- Type
- protein
- Length
- 1,076 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin
- UniProt
- A0A0A7EMW6
- Pockets
- 13 · best druggability 0.82
Structure
x-ray diffraction · 5 distinct chains · 2% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Galectin | protein | 139 | 2% helix, 56% strand | A0A0A7EMW6 |
| B, D, E, H | Galectin | protein | 135 | 2% helix, 59% strand | A0A0A7EMW6 |
| C | Galectin | protein | 133 | 2% helix, 59% strand | A0A0A7EMW6 |
| F | Galectin | protein | 133 | 2% helix, 59% strand | A0A0A7EMW6 |
| G | Galectin | protein | 131 | 2% helix, 60% strand | A0A0A7EMW6 |
Ligands and binding sites
- GOL · Glycerol · additive · 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
13 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 860 | 0.82 | 0.85 | 107 | empty |
| 2 | 130 | 0.47 | 0.78 | 20 | empty |
| 3 | 161 | 0.47 | 0.76 | 29 | empty |
| 4 | 123 | 0.42 | 0.76 | 20 | empty |
| 5 | 99 | 0.41 | 0.78 | 25 | empty |
Interfaces
11 interfaces between chains.
- B–D · 683 Ų buried · 2 hydrogen bonds · protein-protein
- A–E · 660 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 520 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 448 Ų buried · 7 hydrogen bonds · protein-protein
- F–H · 433 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6N44 · Sheep Galectin-11 (LGALS11) complex with glycerol · 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 6N44 · PDBe 6N44 · UniProt A0A0A7EMW6
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