MolNFT v1 · #74833 · protein
Crystal structure of a hypothetical protein from staphylococcus aureus
3P8A · Uncharacterized protein: “Crystal structure of a hypothetical protein from staphylococcus aureus”. X-ray diffraction, 1 ligand (CL), 7 pockets (best druggability 0.55). MolNFT v1 #74833 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3P8A
- Type
- protein
- Length
- 503 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q8KYA6
- Ligands
- CL
- Pockets
- 7 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 251 | 19% helix, 43% strand | Q8KYA6 |
| B | Uncharacterized protein | protein | 252 | 19% helix, 42% strand | Q8KYA6 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 118 | 0.55 | 0.83 | 29 | empty |
| 2 | 106 | 0.53 | 0.83 | 27 | empty |
| 3 | 88 | 0.47 | 0.81 | 22 | empty |
| 4 | 125 | 0.43 | 0.76 | 28 | empty |
| 5 | 85 | 0.42 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 315 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 3P8A · Crystal Structure of a hypothetical protein from Staphylococcus aureus · 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 Q8KYA6
- Elsewhere: RCSB PDB 3P8A · PDBe 3P8A · UniProt Q8KYA6
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