MolNFT v1 · #108349 · protein
Structure of the SSL1 laccase mutant H99Y with depleted type-2 copper ion
4W1T · Copper oxidase: “Structure of the SSL1 laccase mutant H99Y with depleted type-2 copper ion”. X-ray diffraction, 1 ligand (CU), 10 pockets (best druggability 0.86). MolNFT v1 #108349 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4W1T
- Type
- protein
- Length
- 817 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Copper oxidase
- UniProt
- B5HSR1
- Ligands
- CU
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Copper oxidase | protein | 272 | 6% helix, 42% strand | B5HSR1 |
| B | Copper oxidase | protein | 269 | 6% helix, 43% strand | B5HSR1 |
| C | Copper oxidase | protein | 276 | 5% helix, 41% strand | B5HSR1 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 9 copies · chains A, C, B
- GOL · Glycerol · additive · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 445 | 0.86 | 0.93 | 69 | GOL |
| 2 | 98 | 0.75 | 0.96 | 24 | empty |
| 3 | 70 | 0.72 | 0.97 | 20 | empty |
| 4 | 189 | 0.57 | 0.80 | 37 | GOL |
| 5 | 106 | 0.56 | 0.85 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1922 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 1820 Ų buried · 36 hydrogen bonds · protein-protein
- B–C · 1724 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 4W1T · Structure of the Ssl1 laccase mutant H99Y 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 4W1T · PDBe 4W1T · UniProt B5HSR1
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