MolNFT v1 · #93366 · protein
Crystal structure of a cysteine-rich secretory protein (SAV1118) from staphylococcus aureus subsp. aureus MU50 at 1.90 a resolution
4H0A · Uncharacterized protein: “Crystal structure of a cysteine-rich secretory protein (SAV1118) from staphylococcus aureus subsp. aureus…”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #93366 on GenesisL1: 3D…
- PDB
- 4H0A
- Type
- protein
- Length
- 593 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q99UY5
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 292 | 30% helix, 32% strand | Q99UY5 |
| B | Uncharacterized protein | protein | 301 | 31% helix, 32% strand | Q99UY5 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 626 | 0.78 | 0.83 | 54 | empty |
| 2 | 84 | 0.75 | 0.98 | 28 | EDO |
| 3 | 94 | 0.74 | 0.96 | 31 | EDO |
| 4 | 154 | 0.43 | 0.74 | 20 | empty |
| 5 | 92 | 0.37 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1187 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4H0A · Crystal structure of a cysteine-rich secretory protein (SAV1118) from Staphylococcus… · 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 Q99UY5
- Elsewhere: RCSB PDB 4H0A · PDBe 4H0A · UniProt Q99UY5
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