Research workbench
Crystal structure of manduca sexta prophenoloxidase
Analyse Crystal structure of manduca sexta prophenoloxidase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HHS
- Type
- protein
- Length
- 1,325 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenoloxidase subunit 2; Phenoloxidase subunit 1
- EC
- 1.14.18.1
- UniProt
- Q25519, O44249
- Ligands
- CU
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenoloxidase subunit 2 (EC 1.14.18.1) | protein | 669 | 35% helix, 19% strand | Q25519 |
| B | Phenoloxidase subunit 1 (EC 1.14.18.1) | protein | 656 | 37% helix, 20% strand | O44249 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 4 copies · chains A, B
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 | 544 | 0.81 | 0.87 | 80 | empty |
| 2 | 90 | 0.76 | 0.98 | 24 | empty |
| 3 | 431 | 0.73 | 0.83 | 72 | empty |
| 4 | 51 | 0.73 | 0.99 | 15 | empty |
| 5 | 60 | 0.70 | 0.96 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2469 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3HHS · Crystal Structure of Manduca sexta prophenoloxidase · the same entry in another collection · chain A against A, TM-score 1.00
- Q25519 · AlphaFold monomer V2.0 prediction for phenoloxidase subunit 2 (Q25519) · a predicted model of the same protein · chain A against A, TM-score 0.99
- O44249 · AlphaFold monomer V2.0 prediction for phenoloxidase subunit 1 (O44249) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q25519
- Every structure of UniProt O44249
- Elsewhere: RCSB PDB 3HHS · PDBe 3HHS · UniProt Q25519 · UniProt O44249
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