MolNFT v1 · #184137 · protein
Hepatitis B core protein mutant P5T with bound gsllgrmkga
7OEN · Capsid protein: “Hepatitis B core protein mutant P5T with bound gsllgrmkga”. Electron microscopy, 6 pockets (best druggability 0.78). MolNFT v1 #184137 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7OEN
- Type
- protein
- Length
- 594 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein; Gsllgrmkga
- UniProt
- P03146
- Pockets
- 6 · best druggability 0.78
Structure
electron microscopy · 5 distinct chains · 65% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Capsid protein | protein | 150 | 65% helix, 1% strand | P03146 |
| A | Capsid protein | protein | 143 | 66% helix, 0% strand | P03146 |
| C, D | Capsid protein | protein | 144 | 69% helix, 1% strand | P03146 |
| E | Gsllgrmkga | protein | 7 | 0% helix, 14% strand | — |
| F | Gsllgrmkga | protein | 6 | 0% helix, 0% strand | — |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 163 | 0.78 | 0.94 | 28 | empty |
| 2 | 100 | 0.60 | 0.87 | 25 | empty |
| 3 | 59 | 0.60 | 0.91 | 19 | empty |
| 4 | 91 | 0.53 | 0.83 | 13 | empty |
| 5 | 72 | 0.31 | 0.73 | 13 | empty |
Interfaces
7 interfaces between chains.
- C–D · 1962 Ų buried · 13 hydrogen bonds · protein-protein
- B–A · 1941 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 1017 Ų buried · 17 hydrogen bonds · protein-protein
- D–E · 237 Ų buried · 6 hydrogen bonds · protein-protein
- C–E · 227 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7OEN · Hepatitis B core protein mutant P5T with bound GSLLGRMKGA · the same entry in another collection · chain B against B, 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 P03146
- Elsewhere: RCSB PDB 7OEN · PDBe 7OEN · UniProt P03146
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