MolNFT v1 · #176910 · protein
Crystal structure of PR55GAG-matrix domain in complex with IP6 at ambient temperature in space group P1
7E1I · Capsid protein P24: “Crystal structure of PR55GAG-matrix domain in complex with IP6 at ambient temperature in space group P1”. X-ray diffraction, 1 ligand (IHP), 20 pockets (best druggability 0.75). MolNFT v1 #176910 on GenesisL1…
- PDB
- 7E1I
- Type
- protein
- Length
- 1,450 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein P24
- UniProt
- T2CJ20
- Ligands
- IHP
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, F, G, H, I, J, K, L | Capsid protein P24 | protein | 121 | 63% helix, 3% strand | T2CJ20 |
| E | Capsid protein P24 | protein | 119 | 61% helix, 1% strand | T2CJ20 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · 12 copies · chains A, B, H, C, D, E, K, F, G, I, J, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 660 | 0.75 | 0.81 | 48 | empty |
| 2 | 517 | 0.75 | 0.83 | 41 | empty |
| 3 | 577 | 0.74 | 0.81 | 48 | empty |
| 4 | 611 | 0.74 | 0.81 | 50 | empty |
| 5 | 168 | 0.47 | 0.76 | 22 | empty |
Interfaces
18 interfaces between chains.
- B–K · 519 Ų buried · 14 hydrogen bonds · protein-protein
- D–F · 346 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 332 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 331 Ų buried · 3 hydrogen bonds · protein-protein
- K–L · 324 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7E1I · Crystal structure of Pr55Gag-matrix domain in complex with IP6 at ambient temperature in… · 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 T2CJ20
- Elsewhere: RCSB PDB 7E1I · PDBe 7E1I · UniProt T2CJ20
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.