MolNFT v1 · #59434 · protein
Crystal structure of stabilin-1 interacting chitinase-like protein, si-clp
3BXW · Chitinase domain-containing protein 1: “Crystal structure of stabilin-1 interacting chitinase-like protein, si-clp”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.44). MolNFT v1 #59434 on GenesisL1: 3D structure…
- PDB
- 3BXW
- Type
- protein
- Length
- 720 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase domain-containing protein 1
- UniProt
- Q9BWS9
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Chitinase domain-containing protein 1 | protein | 360 | 37% helix, 24% strand | Q9BWS9 |
| A | Chitinase domain-containing protein 1 | protein | 360 | 35% helix, 24% strand | Q9BWS9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.44 | 0.79 | 21 | SO4 |
| 2 | 85 | 0.40 | 0.78 | 21 | SO4 |
| 3 | 51 | 0.35 | 0.79 | 13 | empty |
| 4 | 56 | 0.32 | 0.76 | 14 | empty |
| 5 | 54 | 0.32 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- B–A · 821 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3BXW · Crystal Structure of Stabilin-1 Interacting Chitinase-Like Protein, SI-CLP · the same entry in another collection · chain B against B, TM-score 1.00
- Q9BWS9 · AlphaFold monomer V2.0 prediction for chitinase domain-containing protein 1 (Q9BWS9) · a predicted model of the same protein · chain B 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 Q9BWS9
- Elsewhere: RCSB PDB 3BXW · PDBe 3BXW · UniProt Q9BWS9
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