MolNFT v1 · #29840 · protein
Crystal structure of the complex of signalling protein from sheep (sps-40) with a designed peptide TRP-his-TRP reveals significance of ASN79 and TRP191 in the complex formation
1ZL1 · Chitinase-3 like protein 1: “Crystal structure of the complex of signalling protein from sheep (sps-40) with a designed peptide…”. X-ray diffraction, 3 ligands (NAG, NDG, MAN), 2 pockets (best druggability 0.71). MolNFT v1 #29840 on…
- PDB
- 1ZL1
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase-3 like protein 1; TRP-his-TRP peptide
- UniProt
- Q6TMG6
- Ligands
- NAG, NDG, MAN
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase-3 like protein 1 | protein | 361 | 37% helix, 23% strand | Q6TMG6 |
| C | TRP-his-TRP peptide | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
- MAN · alpha-D-mannopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 569 | 0.71 | 0.79 | 46 | empty |
| 2 | 348 | 0.62 | 0.78 | 41 | empty |
Interfaces
1 interface between chains.
- A–C · 118 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 1ZL1 · Crystal structure of the complex of signalling protein from sheep (SPS-40) with a… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6TMG6 · AlphaFold monomer V2.0 prediction for chitinase-3-like protein 1 (Q6TMG6) · 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 Q6TMG6
- Elsewhere: RCSB PDB 1ZL1 · PDBe 1ZL1 · UniProt Q6TMG6
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