MolNFT v1 · #31685 · protein
Crystal structure of the complex formed between goat signalling protein with pentasaccharide at 3.1 a resolution reveals large scale conformational changes in the residues of tim barrel
2B31 · Chitinase-3-like protein 1, spg-40: “Crystal structure of the complex formed between goat signalling protein with pentasaccharide at 3.1 a…”. X-ray diffraction, 2 ligands (NAG, NDG), 3 pockets (best druggability 0.69). MolNFT v1…
- PDB
- 2B31
- 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, spg-40
- Ligands
- NAG, NDG
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase-3-like protein 1, spg-40 | protein | 361 | 36% helix, 24% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 2 copies · 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 | 533 | 0.69 | 0.78 | 61 | NAG, NDG |
| 2 | 192 | 0.51 | 0.77 | 26 | empty |
| 3 | 63 | 0.32 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 2B31 · Crystal structure of the complex formed between goat signalling protein 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 2B31 · PDBe 2B31
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