MolNFT v1 · #106282 · protein
Crystal structure of human odorant binding protein obpiia
4RUN · Odorant-binding protein 2A: “Crystal structure of human odorant binding protein obpiia”. X-ray diffraction, 6 pockets (best druggability 0.81). MolNFT v1 #106282 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RUN
- Type
- protein
- Length
- 299 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Odorant-binding protein 2A
- UniProt
- Q9NY56
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Odorant-binding protein 2A | protein | 147 | 15% helix, 49% strand | Q9NY56 |
| B | Odorant-binding protein 2A | protein | 152 | 13% helix, 43% strand | Q9NY56 |
Ligands and binding sites
- FLC · Citrate anion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.81 | 0.92 | 34 | FLC |
| 2 | 433 | 0.75 | 0.83 | 41 | empty |
| 3 | 132 | 0.68 | 0.89 | 26 | empty |
| 4 | 144 | 0.43 | 0.76 | 24 | empty |
| 5 | 51 | 0.35 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 749 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 Q9NY56
- Elsewhere: RCSB PDB 4RUN · PDBe 4RUN · UniProt Q9NY56
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