MolNFT v1 · #152223 · protein
Icosahedrally averaged capsid of empty particle of bacteriophage P68
6IB1 · Major head protein: “Icosahedrally averaged capsid of empty particle of bacteriophage P68”. Electron microscopy, 20 pockets (best druggability 0.76). MolNFT v1 #152223 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IB1
- Type
- protein
- Length
- 1,746 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major head protein; Uncharacterized protein
- UniProt
- Q859I3, Q859I2
- Pockets
- 20 · best druggability 0.76
Structure
electron microscopy · 6 distinct chains · 20% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, B | Major head protein | protein | 385 | 20% helix, 17% strand | Q859I3 |
| D | Major head protein | protein | 392 | 21% helix, 22% strand | Q859I3 |
| A | Major head protein | protein | 393 | 26% helix, 17% strand | Q859I3 |
| E | Uncharacterized protein | protein | 54 | 0% helix, 0% strand | Q859I2 |
| F, H | Uncharacterized protein | protein | 55 | 0% helix, 0% strand | Q859I2 |
| G | Uncharacterized protein | protein | 27 | 19% helix, 0% strand | Q859I2 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 521 | 0.76 | 0.84 | 39 | empty |
| 2 | 667 | 0.72 | 0.79 | 54 | empty |
| 3 | 671 | 0.72 | 0.78 | 59 | empty |
| 4 | 760 | 0.70 | 0.76 | 56 | empty |
| 5 | 246 | 0.62 | 0.81 | 32 | empty |
Interfaces
17 interfaces between chains.
- C–B · 3161 Ų buried · 43 hydrogen bonds · protein-protein
- D–B · 3082 Ų buried · 41 hydrogen bonds · protein-protein
- D–A · 2224 Ų buried · 28 hydrogen bonds · protein-protein
- B–F · 1325 Ų buried · 17 hydrogen bonds · protein-protein
- D–H · 1306 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6IB1 · Icosahedrally averaged capsid of empty particle of bacteriophage P68 · the same entry in another collection · chain C against C, 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 Q859I3
- Every structure of UniProt Q859I2
- Elsewhere: RCSB PDB 6IB1 · PDBe 6IB1 · UniProt Q859I3 · UniProt Q859I2
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