Research workbench
Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein
Analyse Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GFR
- Type
- protein
- Length
- 529 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Vibrio cholerae O1 biovar El Tor
- Molecule
- Peptide ABC transporter, periplasmic peptide-binding protein
- UniProt
- Q9KUA3
- Ligands
- NAG, MN
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · resolution 2.2 · 1 distinct chain · 33% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptide ABC transporter, periplasmic peptide-binding protein | protein | 529 | 33% helix, 20% strand | Q9KUA3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- MN · Manganese (II) ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1021 | 0.86 | 0.86 | 105 | NAG |
| 2 | 58 | 0.46 | 0.83 | 17 | empty |
| 3 | 84 | 0.41 | 0.79 | 28 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4GFR · Crystal structure of the liganded chitin oligasaccharide binding protein · 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 Q9KUA3
- Elsewhere: RCSB PDB 4GFR · PDBe 4GFR · UniProt Q9KUA3
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