MolNFT v1 · #147430 · protein
Crystal structure of whv core protein mutant Y132A dimer
6ECS · External core antigen: “Crystal structure of whv core protein mutant Y132A dimer”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #147430 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6ECS
- Type
- protein
- Length
- 542 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- External core antigen
- UniProt
- P0C6J2
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | External core antigen | protein | 144 | 71% helix, 0% strand | P0C6J2 |
| B | External core antigen | protein | 141 | 71% helix, 0% strand | P0C6J2 |
| C | External core antigen | protein | 130 | 73% helix, 0% strand | P0C6J2 |
| D | External core antigen | protein | 127 | 75% helix, 0% strand | P0C6J2 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1171 | 0.76 | 0.79 | 97 | empty |
| 2 | 86 | 0.75 | 0.97 | 17 | empty |
| 3 | 76 | 0.70 | 0.95 | 17 | empty |
| 4 | 170 | 0.67 | 0.86 | 26 | empty |
| 5 | 139 | 0.64 | 0.87 | 26 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2033 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 2026 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 291 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 151 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 100 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6ECS · Crystal structure of WHV core protein mutant Y132A dimer · 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 P0C6J2
- Elsewhere: RCSB PDB 6ECS · PDBe 6ECS · UniProt P0C6J2
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