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Crystal structure of juvenile hormone binding protein from silkworm in complex with jh II
Analyse Crystal structure of juvenile hormone binding protein from silkworm in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AOS
- Type
- protein
- Length
- 443 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemolymph juvenile hormone binding protein
- UniProt
- Q9U556
- Ligands
- JH2
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemolymph juvenile hormone binding protein | protein | 221 | 29% helix, 43% strand | Q9U556 |
| B | Hemolymph juvenile hormone binding protein | protein | 222 | 28% helix, 41% strand | Q9U556 |
Ligands and binding sites
- JH2 · methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 228 | 0.85 | 0.97 | 35 | JH2 |
| 2 | 215 | 0.84 | 0.97 | 29 | JH2 |
| 3 | 87 | 0.40 | 0.78 | 20 | empty |
| 4 | 88 | 0.39 | 0.77 | 17 | empty |
| 5 | 76 | 0.39 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1222 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3AOS · Crystal structure of juvenile hormone binding protein from silkworm in complex with JH II · 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 Q9U556
- Elsewhere: RCSB PDB 3AOS · PDBe 3AOS · UniProt Q9U556
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