MolNFT v1 · #159228 · protein
Structure of aedes aegypti OBP22 in the complex with arachidonic acid
6OII · AAEL005772-pa: “Structure of aedes aegypti OBP22 in the complex with arachidonic acid”. X-ray diffraction, 3 ligands (ACD, CO, CD), 3 pockets (best druggability 0.81). MolNFT v1 #159228 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6OII
- Type
- protein
- Length
- 242 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AAEL005772-pa
- UniProt
- Q1HRL7
- Ligands
- ACD, CO, CD
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AAEL005772-pa | protein | 120 | 66% helix, 3% strand | Q1HRL7 |
| B | AAEL005772-pa | protein | 122 | 61% helix, 3% strand | Q1HRL7 |
Ligands and binding sites
- ACD · Arachidonic acid · ligand · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · 4 copies · chains A, B
- CD · Cadmium ion · metal · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.81 | 0.95 | 30 | ACD |
| 2 | 241 | 0.80 | 0.92 | 35 | ACD |
| 3 | 124 | 0.67 | 0.89 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 630 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6OII · Structure of Aedes aegypti OBP22 in the complex with arachidonic acid · 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 6OII · PDBe 6OII · UniProt Q1HRL7
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