Research workbench
Crystal structure of a galactose specific lectin from artocarpus hirsuta in complex with methyl-a-D-galactose
Analyse Crystal structure of a galactose specific lectin from artocarpus hirsuta in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TOQ
- Type
- protein
- Length
- 592 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Agglutinin alpha chain; Agglutinin beta chain
- Ligands
- AMG
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 65% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Agglutinin alpha chain | protein | 133 | 0% helix, 67% strand | — |
| B, D, F, H | Agglutinin beta chain | protein | 15 | 0% helix, 47% strand | — |
Ligands and binding sites
- AMG · methyl alpha-D-galactopyranoside · ligand · 4 copies · chains A, C, E, G
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 | 541 | 0.81 | 0.87 | 76 | empty |
| 2 | 75 | 0.30 | 0.73 | 22 | empty |
| 3 | 58 | 0.29 | 0.75 | 16 | empty |
| 4 | 58 | 0.27 | 0.74 | 19 | empty |
| 5 | 53 | 0.25 | 0.73 | 16 | empty |
Interfaces
22 interfaces between chains.
- E–F · 544 Ų buried · 9 hydrogen bonds · protein-protein
- G–H · 541 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 535 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 529 Ų buried · 8 hydrogen bonds · protein-protein
- E–H · 433 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1TOQ · CRYSTAL STRUCTURE OF A GALACTOSE SPECIFIC LECTIN FROM ARTOCARPUS HIRSUTA IN COMPLEX WITH… · 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
- Elsewhere: RCSB PDB 1TOQ · PDBe 1TOQ
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