MolNFT v1 · #159351 · protein
Structure of aedes aegypti OBP22 in the complex with palmitoleic acid
6OMW · AAEL005772-pa: “Structure of aedes aegypti OBP22 in the complex with palmitoleic acid”. X-ray diffraction, 1 ligand (PAM), 20 pockets (best druggability 0.83). MolNFT v1 #159351 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6OMW
- Type
- protein
- Length
- 1,080 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AAEL005772-pa
- UniProt
- Q1HRL7
- Ligands
- PAM
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 61% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, G | AAEL005772-pa | protein | 121 | 57% helix, 7% strand | Q1HRL7 |
| B, H | AAEL005772-pa | protein | 120 | 58% helix, 8% strand | Q1HRL7 |
| F, I | AAEL005772-pa | protein | 119 | 66% helix, 3% strand | Q1HRL7 |
| C | AAEL005772-pa | protein | 120 | 58% helix, 8% strand | Q1HRL7 |
| E | AAEL005772-pa | protein | 119 | 66% helix, 3% strand | Q1HRL7 |
Ligands and binding sites
- PAM · Palmitoleic acid · ligand · 3 copies · chains F, I, E
- MLA · Malonic acid · additive · 7 copies · chains A, B, C, D, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 183 | 0.83 | 0.97 | 28 | PAM |
| 2 | 167 | 0.81 | 0.96 | 28 | PAM |
| 3 | 187 | 0.81 | 0.94 | 31 | PAM |
| 4 | 131 | 0.81 | 0.97 | 35 | MLA |
| 5 | 83 | 0.75 | 0.97 | 24 | MLA |
Interfaces
11 interfaces between chains.
- G–H · 1208 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1179 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1164 Ų buried · 13 hydrogen bonds · protein-protein
- A–E · 580 Ų buried · 10 hydrogen bonds · protein-protein
- I–H · 573 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 27 disulfide (disulfide).
Compared structures
- 6OMW · Structure of Aedes aegypti OBP22 in the complex with palmitoleic 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 6OMW · PDBe 6OMW · UniProt Q1HRL7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.