MolNFT v1 · #27284 · protein
Complex HCV core-Fab 19D9D6-protein L mutant (H74C, Y64W)IN space group P21212
1XF5 · Capsid protein C: “Complex HCV core-Fab 19D9D6-protein L mutant (H74C, Y64W)IN space group P21212”. X-ray diffraction, 12 pockets (best druggability 0.66). MolNFT v1 #27284 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1XF5
- Type
- protein
- Length
- 1,038 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsid protein C; Monoclonal antibody 19D9D6 light chain; Monoclonal antibody 19D9D6…
- UniProt
- P26661
- Pockets
- 12 · best druggability 0.66
Structure
x-ray diffraction · 6 distinct chains · 13% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P | Capsid protein C | protein | 16 | 0% helix, 0% strand | P26661 |
| Q | Capsid protein C | protein | 8 | 0% helix, 0% strand | P26661 |
| A, C | Monoclonal antibody 19D9D6 light chain | protein | 220 | 7% helix, 51% strand | — |
| B, D | Monoclonal antibody 19D9D6 heavy chain | protein | 218 | 10% helix, 53% strand | — |
| L | Protein L | protein | 71 | 31% helix, 41% strand | — |
| M | Protein L | protein | 67 | 27% helix, 42% strand | — |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 796 | 0.66 | 0.74 | 72 | empty |
| 2 | 607 | 0.63 | 0.75 | 66 | empty |
| 3 | 343 | 0.61 | 0.78 | 49 | empty |
| 4 | 188 | 0.51 | 0.77 | 29 | empty |
| 5 | 158 | 0.47 | 0.77 | 18 | empty |
Interfaces
10 interfaces between chains.
- A–B · 1851 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1790 Ų buried · 13 hydrogen bonds · protein-protein
- L–M · 650 Ų buried · 7 hydrogen bonds · protein-protein
- C–M · 643 Ų buried · 10 hydrogen bonds · protein-protein
- A–L · 624 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1XF5 · Complex HCV core-Fab 19D9D6-Protein L mutant (H74C, Y64W)in space group P21212 · the same entry in another collection · chain P against P, 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 P26661
- Elsewhere: RCSB PDB 1XF5 · PDBe 1XF5 · UniProt P26661
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