MolNFT v1 · #159832 · protein
Structure of aedes aegypti OBP22 in the complex with benzaldehyde
6P2E · OBP22, AAEL005772-pa: “Structure of aedes aegypti OBP22 in the complex with benzaldehyde”. X-ray diffraction, 2 ligands (BEZ, SO4), 1 pocket (best druggability 0.64). MolNFT v1 #159832 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6P2E
- Type
- protein
- Length
- 122 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- OBP22, AAEL005772-pa
- UniProt
- Q1HRL7
- Ligands
- BEZ, SO4
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | OBP22, AAEL005772-pa | protein | 122 | 56% helix, 3% strand | Q1HRL7 |
Ligands and binding sites
- BEZ · Benzoic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.64 | 0.86 | 18 | BEZ, GOL |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6P2E · Structure of Aedes aegypti OBP22 in the complex with benzaldehyde · 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 Q1HRL7
- Elsewhere: RCSB PDB 6P2E · PDBe 6P2E · UniProt Q1HRL7
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