MolNFT v1 · #92493 · protein
Crystal structure of the rhizoctonia solani agglutinin in complex with N'-acetyl-galactosamine
4G9N: “Crystal structure of the rhizoctonia solani agglutinin in complex with N'-acetyl-galactosamine”. X-ray diffraction, 1 ligand (NGA), 1 pocket (best druggability 0.29). MolNFT v1 #92493 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4G9N
- Type
- protein
- Length
- 285 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Agglutinin
- Ligands
- NGA
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Agglutinin | protein | 142 | 8% helix, 49% strand | — |
| B | Agglutinin | protein | 143 | 8% helix, 48% strand | — |
Ligands and binding sites
- NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.29 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1167 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4G9N · Crystal structure of the Rhizoctonia solani agglutinin 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 4G9N · PDBe 4G9N
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