Research workbench
Crystal structure of the crd-sat
Analyse Crystal structure of the crd-sat in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6H64
- Type
- protein
- Length
- 822 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin-3
- UniProt
- P17931
- Ligands
- GLC, GAL, SO4
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 61% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Galectin-3 | protein | 137 | 2% helix, 61% strand | P17931 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A, F, B, E, C, D
- GAL · beta-D-galactopyranose · sugar · 6 copies · chains A, F, B, E, C, D
- SO4 · Sulfate ion · ion · 9 copies · chains A, F, B, E, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1069 | 0.77 | 0.79 | 72 | GAL, SO4 |
| 2 | 1087 | 0.76 | 0.79 | 63 | GAL, GLC, SO4 |
| 3 | 75 | 0.34 | 0.76 | 23 | empty |
Interfaces
5 interfaces between chains.
- A–D · 509 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 492 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 362 Ų buried · 6 hydrogen bonds · protein-protein
- A–F · 356 Ų buried · 4 hydrogen bonds · protein-protein
- B–E · 318 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6H64 · Crystal structure of the CRD-SAT · 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 P17931
- Elsewhere: RCSB PDB 6H64 · PDBe 6H64 · UniProt P17931
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