MolNFT v1 · #148713 · protein
Crystal structure of novel repeat protein BRIC2 fused to darpin D12
6FES · D12_BRIC2, a synthetic PROTEIN,D12_BRIC2, a synthetic…: “Crystal structure of novel repeat protein BRIC2 fused to darpin D12”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.72). MolNFT v1 #148713 on GenesisL1…
- PDB
- 6FES
- Type
- protein
- Length
- 1,454 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D12_BRIC2, a synthetic PROTEIN,D12_BRIC2, a synthetic protein
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | D12_BRIC2, a synthetic PROTEIN,D12_BRIC2, a synthetic protein | protein | 365 | 72% helix, 0% strand | — |
| B, C, D | D12_BRIC2, a synthetic PROTEIN,D12_BRIC2, a synthetic protein | protein | 363 | 71% helix, 0% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1154 | 0.72 | 0.76 | 92 | empty |
| 2 | 1130 | 0.71 | 0.75 | 90 | empty |
| 3 | 52 | 0.70 | 0.97 | 22 | empty |
| 4 | 701 | 0.63 | 0.74 | 71 | empty |
| 5 | 519 | 0.62 | 0.75 | 48 | SO4 |
Interfaces
5 interfaces between chains.
- B–D · 734 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 419 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 377 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 266 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 173 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6FES · Crystal structure of novel repeat protein BRIC2 fused to DARPin D12 · 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 6FES · PDBe 6FES
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