MolNFT v1 · #104343 · protein
Crystal structure of the complex of buffalo signalling protein spb-40 with 4-N-trimethylaminobutyraldehyde at 1.79 ångström resolution
4Q7N · Chitinase-3-like protein 1: “Crystal structure of the complex of buffalo signalling protein spb-40 with 4-N-trimethylaminobutyraldehyde at…”. X-ray diffraction, 2 ligands (2ZO, NAG), 3 pockets (best druggability 0.67). MolNFT v1…
- PDB
- 4Q7N
- Type
- protein
- Length
- 361 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase-3-like protein 1
- UniProt
- Q7YS85
- Ligands
- 2ZO, NAG
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase-3-like protein 1 | protein | 361 | 38% helix, 23% strand | Q7YS85 |
Ligands and binding sites
- 2ZO · N,N,N-trimethyl-4-oxobutan-1-aminium · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
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 | 393 | 0.67 | 0.80 | 47 | 2ZO |
| 2 | 172 | 0.62 | 0.84 | 24 | empty |
| 3 | 61 | 0.39 | 0.80 | 16 | empty |
Modifications
Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 4Q7N · Crystal structure of the complex of Buffalo Signalling protein SPB-40 with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q7YS85 · AlphaFold monomer V2.0 prediction for chitinase-3-like protein 1 (Q7YS85) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q7YS85
- Elsewhere: RCSB PDB 4Q7N · PDBe 4Q7N · UniProt Q7YS85
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