MolNFT v1 · #108331 · protein
Designed armadillo repeat protein with 5 internal repeats, 2ND generation C-cap and 3RD generation N-cap.
4V3O · YIII_M5_AII: “Designed armadillo repeat protein with 5 internal repeats, 2ND generation C-cap and 3RD generation N-cap.”. X-ray diffraction, 1 ligand (CA), 9 pockets (best druggability 0.80). MolNFT v1 #108331 on GenesisL1: 3D…
- PDB
- 4V3O
- Type
- protein
- Length
- 1,152 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- YIII_M5_AII
- Ligands
- CA
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | YIII_M5_AII | protein | 289 | 73% helix, 0% strand | — |
| C | YIII_M5_AII | protein | 288 | 75% helix, 0% strand | — |
| D | YIII_M5_AII | protein | 286 | 74% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 522 | 0.80 | 0.87 | 75 | empty |
| 2 | 321 | 0.75 | 0.87 | 48 | CA |
| 3 | 105 | 0.59 | 0.86 | 21 | empty |
| 4 | 137 | 0.58 | 0.84 | 29 | ACT |
| 5 | 77 | 0.55 | 0.87 | 17 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1366 Ų buried · 31 hydrogen bonds · protein-protein
- A–D · 1272 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 1256 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 1177 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 301 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4V3O · Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd… · 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 4V3O · PDBe 4V3O
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