MolNFT v1 · #91244 · protein
Structure of anopheles gambiae odorant binding protein 20
4F7F · AGAP005208-pa: “Structure of anopheles gambiae odorant binding protein 20”. X-ray diffraction, 4 pockets (best druggability 0.88). MolNFT v1 #91244 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4F7F
- Type
- protein
- Length
- 476 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AGAP005208-pa
- UniProt
- Q7Q9J3
- Pockets
- 4 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | AGAP005208-pa | protein | 119 | 66% helix, 3% strand | Q7Q9J3 |
Ligands and binding sites
- PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · additive · 3 copies · chains A, C, D
- 2PE · Nonaethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 670 | 0.88 | 0.91 | 73 | PG6 |
| 2 | 408 | 0.84 | 0.91 | 48 | 2PE |
| 3 | 184 | 0.77 | 0.92 | 27 | PG6 |
| 4 | 128 | 0.38 | 0.74 | 23 | empty |
Interfaces
3 interfaces between chains.
- C–D · 817 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 724 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 100 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 4F7F · Structure of Anopheles gambiae odorant binding protein 20 · the same entry in another collection · chain B against B, 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 Q7Q9J3
- Elsewhere: RCSB PDB 4F7F · PDBe 4F7F · UniProt Q7Q9J3
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