MolNFT v1 · #152166 · protein
Thermophage P23-45 empty expanded capsid
6I9E · Major head protein: “Thermophage P23-45 empty expanded capsid”. Electron microscopy, 20 pockets (best druggability 0.71). MolNFT v1 #152166 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6I9E
- Type
- protein
- Length
- 3,885 residues
- Chains
- 14
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major head protein; Auxiliary protein
- UniProt
- A7XXC2, A7XXC1
- Pockets
- 20 · best druggability 0.71
Structure
electron microscopy · 2 distinct chains · 17% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Major head protein | protein | 409 | 20% helix, 24% strand | A7XXC2 |
| H, I, J, K, L, M, N | Auxiliary protein | protein | 146 | 8% helix, 32% strand | A7XXC1 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 764 | 0.71 | 0.77 | 77 | empty |
| 2 | 911 | 0.71 | 0.75 | 82 | empty |
| 3 | 639 | 0.69 | 0.77 | 53 | empty |
| 4 | 737 | 0.67 | 0.75 | 69 | empty |
| 5 | 590 | 0.67 | 0.77 | 52 | empty |
Interfaces
32 interfaces between chains.
- C–D · 3271 Ų buried · 46 hydrogen bonds · protein-protein
- A–F · 3270 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 3270 Ų buried · 40 hydrogen bonds · protein-protein
- B–C · 3228 Ų buried · 45 hydrogen bonds · protein-protein
- D–E · 3193 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 6I9E · Thermophage P23-45 empty expanded capsid · 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 A7XXC2
- Every structure of UniProt A7XXC1
- Elsewhere: RCSB PDB 6I9E · PDBe 6I9E · UniProt A7XXC2 · UniProt A7XXC1
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