MolNFT v1 · #100952 · protein
Crystal structure of 4-hbt like thioesterase SAV1878 from staphylococcus aureus subsp. aureus MU50
4NCP · Uncharacterized protein: “Crystal structure of 4-hbt like thioesterase SAV1878 from staphylococcus aureus subsp. aureus MU50”. X-ray diffraction, 15 pockets (best druggability 0.83). MolNFT v1 #100952 on GenesisL1: 3D structure…
- PDB
- 4NCP
- Type
- protein
- Length
- 972 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q931N3
- Pockets
- 15 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Uncharacterized protein | protein | 162 | 33% helix, 41% strand | Q931N3 |
Pockets
15 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1191 | 0.83 | 0.84 | 67 | empty |
| 2 | 103 | 0.73 | 0.95 | 27 | empty |
| 3 | 109 | 0.72 | 0.93 | 26 | empty |
| 4 | 98 | 0.72 | 0.94 | 28 | empty |
| 5 | 253 | 0.68 | 0.84 | 36 | empty |
Interfaces
12 interfaces between chains.
- A–C · 1852 Ų buried · 29 hydrogen bonds · protein-protein
- D–F · 1850 Ų buried · 26 hydrogen bonds · protein-protein
- B–E · 1837 Ų buried · 26 hydrogen bonds · protein-protein
- A–E · 979 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 944 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4NCP · Crystal Structure of 4-HBT like thioesterase SAV1878 from Staphylococcus aureus subsp.… · 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 Q931N3
- Elsewhere: RCSB PDB 4NCP · PDBe 4NCP · UniProt Q931N3
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