MolNFT v1 · #23079 · protein
Crystal structure of a galactose specific lectin from artocarpus hirsuta in complex with methyl-a-D-galactose
1TP8 · Agglutinin alpha chain: “Crystal structure of a galactose specific lectin from artocarpus hirsuta in complex with methyl-a-D-galactose”. X-ray diffraction, 1 ligand (AMG), 5 pockets (best druggability 0.83). MolNFT v1 #23079 on…
- PDB
- 1TP8
- Type
- protein
- Length
- 596 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 0.83
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, 68% strand | — |
| B, D, F, H | Agglutinin beta chain | protein | 16 | 0% helix, 44% 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 | 655 | 0.83 | 0.87 | 73 | empty |
| 2 | 87 | 0.32 | 0.73 | 22 | empty |
| 3 | 70 | 0.31 | 0.74 | 21 | empty |
| 4 | 72 | 0.30 | 0.73 | 20 | empty |
| 5 | 62 | 0.27 | 0.73 | 18 | empty |
Interfaces
22 interfaces between chains.
- C–D · 569 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 560 Ų buried · 8 hydrogen bonds · protein-protein
- G–H · 557 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 554 Ų buried · 8 hydrogen bonds · protein-protein
- E–H · 422 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1TP8 · 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 1TP8 · PDBe 1TP8
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