MolNFT v2 · #206681 · protein
Hallucinated C3 protein assembly HALC3_104
8D06: “Hallucinated C3 protein assembly HALC3_104”. X-ray diffraction at 3.4, 4 pockets (best druggability 0.76). MolNFT v2 #206681 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8D06
- Type
- protein
- Length
- 777 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.4
- Source
- synthetic construct
- Molecule
- HALC3_104
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · resolution 3.4 · 7 distinct chains · 87% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, H | HALC3_104 | protein | 64 | 84% helix, 0% strand | — |
| B, C, L | HALC3_104 | protein | 67 | 88% helix, 0% strand | — |
| D | HALC3_104 | protein | 65 | 86% helix, 0% strand | — |
| E, F, K | HALC3_104 | protein | 66 | 88% helix, 0% strand | — |
| G | HALC3_104 | protein | 60 | 83% helix, 0% strand | — |
| I | HALC3_104 | protein | 59 | 92% helix, 0% strand | — |
| J | HALC3_104 | protein | 66 | 85% helix, 0% strand | — |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.76 | 0.78 | 55 | empty |
| 2 | 649 | 0.68 | 0.77 | 56 | empty |
| 3 | 56 | 0.40 | 0.81 | 15 | empty |
| 4 | 110 | 0.34 | 0.73 | 17 | empty |
Interfaces
18 interfaces between chains.
- A–B · 1026 Ų buried · 10 hydrogen bonds · protein-protein
- K–J · 989 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 986 Ų buried · 4 hydrogen bonds · protein-protein
- L–J · 978 Ų buried · 8 hydrogen bonds · protein-protein
- L–K · 976 Ų buried · 8 hydrogen bonds · protein-protein
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 8D06 · PDBe 8D06
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