MolNFT v1 · #95201 · protein
Crystal structure of odorant binding protein 48 from anopheles gambiae (AGAMOBP48) with peg
4IJ7 · Odorant binding protein-8: “Crystal structure of odorant binding protein 48 from anopheles gambiae (AGAMOBP48) with peg”. X-ray diffraction, 2 ligands (PEU, NA), 3 pockets (best druggability 0.89). MolNFT v1 #95201 on GenesisL1: 3D…
- PDB
- 4IJ7
- Type
- protein
- Length
- 344 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Odorant binding protein-8
- UniProt
- Q8MMI9
- Ligands
- PEU, NA
- Pockets
- 3 · best druggability 0.89
Structure
x-ray diffraction · 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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