MolNFT v1 · #185415 · protein
Crystal structure of two-domain laccase mutant H165A/R240H from streptomyces griseoflavus
7PUH: “Crystal structure of two-domain laccase mutant H165A/R240H from streptomyces griseoflavus”. X-ray diffraction, 2 ligands (CU, OXY), 20 pockets (best druggability 0.86). MolNFT v1 #185415 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7PUH
- Type
- protein
- Length
- 1,666 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Two-domain laccase
- EC
- 1.10.3.2
- UniProt
- A0A0M4FJ81
- Ligands
- CU, OXY
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, E, F | Two-domain laccase (EC 1.10.3.2) | protein | 278 | 6% helix, 42% strand | A0A0M4FJ81 |
| B, C | Two-domain laccase (EC 1.10.3.2) | protein | 277 | 6% helix, 42% strand | A0A0M4FJ81 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 24 copies · chains A, C, B, D, F, E
- OXY · Oxygen molecule · ion · 6 copies · chains A, C, B, D, F, E
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 4 copies · chains B, C, E, F
- PG4 · Tetraethylene glycol · additive · chains A, C
- PEG · Di(hydroxyethyl)ether · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 691 | 0.86 | 0.90 | 89 | empty |
| 2 | 407 | 0.84 | 0.93 | 53 | empty |
| 3 | 398 | 0.84 | 0.93 | 56 | empty |
| 4 | 254 | 0.77 | 0.90 | 47 | empty |
| 5 | 187 | 0.72 | 0.89 | 32 | empty |
Interfaces
12 interfaces between chains.
- E–F · 1778 Ų buried · 30 hydrogen bonds · protein-protein
- D–E · 1759 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 1740 Ų buried · 32 hydrogen bonds · protein-protein
- D–F · 1740 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 1697 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 7PUH · Crystal Structure of Two-Domain Laccase mutant H165A/R240H from Streptomyces griseoflavus · 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 A0A0M4FJ81
- Elsewhere: RCSB PDB 7PUH · PDBe 7PUH · UniProt A0A0M4FJ81
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