MolNFT v1 · #153550 · protein
Crystal structure of alginate-binding protein ALGQ2 without calcium ion
6JHX: “Crystal structure of alginate-binding protein ALGQ2 without calcium ion”. X-ray diffraction, 2 ligands (MAW, BEM), 6 pockets (best druggability 0.85). MolNFT v1 #153550 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6JHX
- Type
- protein
- Length
- 969 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALGQ2
- UniProt
- Q9KWT5
- Ligands
- MAW, BEM
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALGQ2 | protein | 486 | 47% helix, 15% strand | Q9KWT5 |
| B | ALGQ2 | protein | 483 | 46% helix, 15% strand | Q9KWT5 |
Ligands and binding sites
- MAW · 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid · ligand · 2 copies · chains A, B
- BEM · beta-D-mannopyranuronic acid · sugar · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1020 | 0.85 | 0.86 | 94 | BEM, MAW |
| 2 | 814 | 0.84 | 0.87 | 83 | BEM, MAW |
| 3 | 56 | 0.45 | 0.84 | 17 | empty |
| 4 | 107 | 0.41 | 0.76 | 16 | empty |
| 5 | 95 | 0.34 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 872 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6JHX · Crystal structure of alginate-binding protein AlgQ2 without calcium ion · 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
- Every structure of UniProt Q9KWT5
- Elsewhere: RCSB PDB 6JHX · PDBe 6JHX · UniProt Q9KWT5
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