Research workbench
Crystal structure of Odorant Binding Protein 48 from Anopheles gambiae (AgamOBP48) with PEG
Analyse Crystal structure of Odorant Binding Protein 48 from Anopheles gambiae… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IJ7
- Type
- protein
- Length
- 344 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.25
- Source
- Anopheles gambiae
- Molecule
- Odorant binding protein-8
- UniProt
- Q8MMI9
- Ligands
- PEU, NA
- Pockets
- 3 · best druggability 0.89
Structure
x-ray diffraction · resolution 2.25 · 1 distinct chain · 58% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Odorant binding protein-8 | protein | 172 | 58% helix, 2% strand | Q8MMI9 |
Ligands and binding sites
- PEU · 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56, 59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol · ligand · chains A, B
- NA · Sodium ion · metal · 7 copies · chains A, B
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 | 1178 | 0.89 | 0.90 | 103 | PEU, NA |
| 2 | 75 | 0.36 | 0.76 | 13 | NA |
| 3 | 56 | 0.35 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2323 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 4IJ7 · Crystal structure of odorant binding protein 48 from anopheles gambiae (AGAMOBP48) 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
- Every structure of UniProt Q8MMI9
- Elsewhere: RCSB PDB 4IJ7 · PDBe 4IJ7 · UniProt Q8MMI9
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