MolNFT v1 · #117869 · protein
Crystal structure of odorant binding protein 1 from anopheles gambiae (AGAMOBP1) with icaridin (butan-2-yl 2-(2-HYDROXYETHYL)PIPERIDINE-1- carboxylate)
5EL2 · AGAP003309-pa: “Crystal structure of odorant binding protein 1 from anopheles gambiae (AGAMOBP1) with icaridin (butan-2-yl…”. X-ray diffraction, 2 ligands (KBR, MG), 3 pockets (best druggability 0.88). MolNFT v1 #117869 on…
- PDB
- 5EL2
- Type
- protein
- Length
- 250 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AGAP003309-pa
- UniProt
- Q8I8T0
- Ligands
- KBR, MG
- Pockets
- 3 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | AGAP003309-pa | protein | 125 | 58% helix, 2% strand | Q8I8T0 |
Ligands and binding sites
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 | 641 | 0.88 | 0.92 | 65 | KBR |
| 2 | 70 | 0.37 | 0.77 | 16 | empty |
| 3 | 69 | 0.31 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 623 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 5EL2 · Crystal structure of Odorant Binding Protein 1 from Anopheles gambiae (AgamOBP1) 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 Q8I8T0
- Elsewhere: RCSB PDB 5EL2 · PDBe 5EL2 · UniProt Q8I8T0
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