MolNFT v1 · #162813 · protein
The crystal structure of abne, an arabino-oligosaccharide binding protein, in complex with arabinobiose
6RJY · Arabino-oligosaccharids-binding protein: “The crystal structure of abne, an arabino-oligosaccharide binding protein, in complex with arabinobiose”. X-ray diffraction, 2 ligands (AHR, CA), 4 pockets (best druggability 0.76). MolNFT…
- PDB
- 6RJY
- Type
- protein
- Length
- 415 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arabino-oligosaccharids-binding protein
- UniProt
- B3EYM9
- Ligands
- AHR, CA
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arabino-oligosaccharids-binding protein | protein | 415 | 48% helix, 17% strand | B3EYM9 |
Ligands and binding sites
- AHR · alpha-L-arabinofuranose · sugar · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 884 | 0.76 | 0.79 | 76 | AHR, TRS |
| 2 | 153 | 0.46 | 0.76 | 27 | GOL |
| 3 | 63 | 0.36 | 0.78 | 13 | empty |
| 4 | 67 | 0.35 | 0.77 | 18 | empty |
Compared structures
- 6RJY · The crystal structure of AbnE, an arabino-oligosaccharide binding protein, in complex… · 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 B3EYM9
- Elsewhere: RCSB PDB 6RJY · PDBe 6RJY · UniProt B3EYM9
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