MolNFT v1 · #163661 · protein
Designed armadillo repeat protein LOCK2 fused to target peptide krkrkaklsf
6S9N · LOCK2_KRKRKAKLSF: “Designed armadillo repeat protein LOCK2 fused to target peptide krkrkaklsf”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.75). MolNFT v1 #163661 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6S9N
- Type
- protein
- Length
- 1,797 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- LOCK2_KRKRKAKLSF
- Ligands
- CA
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 70% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | LOCK2_KRKRKAKLSF | protein | 300 | 70% helix, 1% strand | — |
| B, C, D, F | LOCK2_KRKRKAKLSF | protein | 299 | 70% helix, 1% strand | — |
| E | LOCK2_KRKRKAKLSF | protein | 301 | 70% helix, 0% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 18 copies · chains A, E, B, C, F, D
- EDO · 1,2-ethanediol · additive · chains F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 591 | 0.75 | 0.82 | 57 | empty |
| 2 | 669 | 0.74 | 0.81 | 63 | empty |
| 3 | 379 | 0.70 | 0.83 | 67 | empty |
| 4 | 509 | 0.68 | 0.79 | 49 | empty |
| 5 | 209 | 0.68 | 0.86 | 47 | empty |
Interfaces
6 interfaces between chains.
- A–E · 1406 Ų buried · 37 hydrogen bonds · protein-protein
- C–F · 1398 Ų buried · 42 hydrogen bonds · protein-protein
- A–B · 720 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 608 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 579 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6S9N · Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKLSF · 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
- Elsewhere: RCSB PDB 6S9N · PDBe 6S9N
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.