MolNFT v1 · #93294 · protein
Role of the biradical intermediate observed during the turnover of slac: a two-domain laccase from streptomyces coelicolor
4GY4 · Putative copper oxidase: “Role of the biradical intermediate observed during the turnover of slac: a two-domain laccase from…”. X-ray diffraction, 2 ligands (CU, O), 11 pockets (best druggability 0.84). MolNFT v1 #93294 on…
- PDB
- 4GY4
- Type
- protein
- Length
- 832 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative copper oxidase
- UniProt
- Q9XAL8
- Ligands
- CU, O
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative copper oxidase | protein | 276 | 6% helix, 41% strand | Q9XAL8 |
| B, C | Putative copper oxidase | protein | 278 | 5% helix, 41% strand | Q9XAL8 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 12 copies · chains A, C, B
- O · Oxygen atom · ion · 3 copies · chains A, B, C
- PG4 · Tetraethylene glycol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 425 | 0.84 | 0.92 | 70 | empty |
| 2 | 57 | 0.71 | 0.98 | 20 | empty |
| 3 | 51 | 0.69 | 0.98 | 20 | empty |
| 4 | 51 | 0.67 | 0.97 | 21 | empty |
| 5 | 184 | 0.57 | 0.81 | 35 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1896 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 1876 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 1860 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 4GY4 · Role of the biradical intermediate observed during the turnover of SLAC: A two-domain… · 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 Q9XAL8
- Elsewhere: RCSB PDB 4GY4 · PDBe 4GY4 · UniProt Q9XAL8
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