MolNFT v1 · #60899 · protein
Crystal structure of the Q97W15_SULSO protein from sulfolobus solfataricus. nesg target SSR125.
3D5N: “Crystal structure of the Q97W15_SULSO protein from sulfolobus solfataricus. nesg target SSR125.”. X-ray diffraction, 20 pockets (best druggability 0.71). MolNFT v1 #60899 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3D5N
- Type
- protein
- Length
- 1,377 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Q97W15_SULSO
- UniProt
- Q97W15
- Pockets
- 20 · best druggability 0.71
Structure
x-ray diffraction · 7 distinct chains · 33% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Q97W15_SULSO | protein | 178 | 34% helix, 21% strand | Q97W15 |
| B | Q97W15_SULSO | protein | 167 | 35% helix, 24% strand | Q97W15 |
| E | Q97W15_SULSO | protein | 172 | 31% helix, 23% strand | Q97W15 |
| F | Q97W15_SULSO | protein | 172 | 34% helix, 27% strand | Q97W15 |
| G | Q97W15_SULSO | protein | 166 | 35% helix, 26% strand | Q97W15 |
| H | Q97W15_SULSO | protein | 173 | 35% helix, 23% strand | Q97W15 |
| I | Q97W15_SULSO | protein | 171 | 30% helix, 24% strand | Q97W15 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 892 | 0.71 | 0.76 | 87 | empty |
| 2 | 504 | 0.67 | 0.78 | 48 | empty |
| 3 | 408 | 0.63 | 0.77 | 45 | empty |
| 4 | 263 | 0.62 | 0.80 | 34 | empty |
| 5 | 352 | 0.62 | 0.78 | 43 | empty |
Interfaces
15 interfaces between chains.
- F–I · 1043 Ų buried · 15 hydrogen bonds · protein-protein
- H–I · 989 Ų buried · 15 hydrogen bonds · protein-protein
- D–E · 968 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 936 Ų buried · 13 hydrogen bonds · protein-protein
- F–G · 907 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 39 modified, 8 disulfide (engineered, disulfide).
Compared structures
- 3D5N · Crystal structure of the Q97W15_SULSO protein from Sulfolobus solfataricus. NESG target… · the same entry in another collection · chain G against G, 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 Q97W15
- Elsewhere: RCSB PDB 3D5N · PDBe 3D5N · UniProt Q97W15
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