MolNFT v1 · #118008 · protein
The crystal structure of the hypothetical protein SAV0944 mutant (GLU47ALA) from staphylococcus aureus.
5EP5 · Thioesterase: “The crystal structure of the hypothetical protein SAV0944 mutant (GLU47ALA) from staphylococcus aureus.”. X-ray diffraction, 5 pockets (best druggability 0.78). MolNFT v1 #118008 on GenesisL1: 3D structure, binding…
- PDB
- 5EP5
- Type
- protein
- Length
- 481 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioesterase
- UniProt
- A0A0H3JUJ1
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Thioesterase | protein | 120 | 21% helix, 48% strand | A0A0H3JUJ1 |
| B | Thioesterase | protein | 121 | 21% helix, 50% strand | A0A0H3JUJ1 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 434 | 0.78 | 0.86 | 74 | empty |
| 2 | 235 | 0.68 | 0.84 | 40 | empty |
| 3 | 213 | 0.68 | 0.85 | 42 | empty |
| 4 | 90 | 0.37 | 0.75 | 20 | empty |
| 5 | 64 | 0.32 | 0.76 | 17 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1303 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 1292 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 554 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 550 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 252 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5EP5 · The crystal structure of the hypothetical protein SAV0944 mutant (Glu47Ala) from… · the same entry in another collection · chain B against B, 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 A0A0H3JUJ1
- Elsewhere: RCSB PDB 5EP5 · PDBe 5EP5 · UniProt A0A0H3JUJ1
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