Research workbench
Crystal structure of mcoa multicopper oxidase 2F4 variant from the hyperthermophile aquifex aeolicus
Analyse Crystal structure of mcoa multicopper oxidase 2F4 variant from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TTD
- Type
- protein
- Length
- 914 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multicopper oxidase
- Ligands
- CU, SO4, OXY
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Multicopper oxidase | protein | 457 | 7% helix, 46% strand | — |
Ligands and binding sites
- CU · Copper (II) ion · metal · 8 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- OXY · Oxygen molecule · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 446 | 0.68 | 0.80 | 46 | GOL |
| 2 | 485 | 0.64 | 0.77 | 39 | empty |
| 3 | 158 | 0.59 | 0.83 | 25 | GOL |
| 4 | 155 | 0.58 | 0.83 | 26 | GOL |
| 5 | 160 | 0.45 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 449 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6TTD · Crystal structure of McoA multicopper oxidase 2F4 variant from the hyperthermophile… · 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
- Elsewhere: RCSB PDB 6TTD · PDBe 6TTD
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