MolNFT v1 · #107447 · protein
Structure of the SSL1 laccase mutant H99Q with depleted type-2 copper ion
4UAN · Copper oxidase: “Structure of the SSL1 laccase mutant H99Q with depleted type-2 copper ion”. X-ray diffraction, 1 ligand (CU), 8 pockets (best druggability 0.84). MolNFT v1 #107447 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4UAN
- Type
- protein
- Length
- 818 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Copper oxidase
- UniProt
- B5HSR1
- Ligands
- CU
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Copper oxidase | protein | 276 | 5% helix, 41% strand | B5HSR1 |
| B | Copper oxidase | protein | 270 | 6% helix, 43% strand | B5HSR1 |
| C | Copper oxidase | protein | 272 | 6% helix, 42% strand | B5HSR1 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 9 copies · chains A, C, B
- GOL · Glycerol · additive · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 584 | 0.84 | 0.89 | 92 | GOL |
| 2 | 53 | 0.68 | 0.97 | 19 | empty |
| 3 | 82 | 0.55 | 0.86 | 15 | empty |
| 4 | 161 | 0.54 | 0.80 | 34 | GOL |
| 5 | 139 | 0.47 | 0.78 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1945 Ų buried · 40 hydrogen bonds · protein-protein
- B–C · 1891 Ų buried · 36 hydrogen bonds · protein-protein
- A–B · 1788 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 4UAN · Structure of the Ssl1 laccase mutant H99Q with depleted type-2 copper ion · 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 B5HSR1
- Elsewhere: RCSB PDB 4UAN · PDBe 4UAN · UniProt B5HSR1
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