MolNFT v1 · #188638 · protein
Structure of SPAC806.04C protein from fission yeast covalently bound to BEF3
7U1X · Damage-control phosphatase SPAC806.04C: “Structure of SPAC806.04C protein from fission yeast covalently bound to BEF3”. X-ray diffraction, 2 ligands (ZN, PO4), 6 pockets (best druggability 0.79). MolNFT v1 #188638 on GenesisL1: 3D…
- PDB
- 7U1X
- Type
- protein
- Length
- 873 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Damage-control phosphatase SPAC806.04C
- EC
- 3.1.3.-
- UniProt
- Q9UT55
- Ligands
- ZN, PO4
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Damage-control phosphatase SPAC806.04C (EC 3.1.3.-) | protein | 439 | 56% helix, 10% strand | Q9UT55 |
| B | Damage-control phosphatase SPAC806.04C (EC 3.1.3.-) | protein | 434 | 55% helix, 11% strand | Q9UT55 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 891 | 0.79 | 0.81 | 97 | empty |
| 2 | 89 | 0.49 | 0.81 | 14 | empty |
| 3 | 150 | 0.45 | 0.76 | 23 | empty |
| 4 | 85 | 0.42 | 0.78 | 25 | empty |
| 5 | 57 | 0.37 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 945 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 7U1X · Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UT55 · AlphaFold monomer V2.0 prediction for damage-control phosphatase SPAC806.04C (Q9UT55) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q9UT55
- Elsewhere: RCSB PDB 7U1X · PDBe 7U1X · UniProt Q9UT55
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