MolNFT v1 · #100982 · protein
Computational design and experimental verification of a symmetric homodimer
4NDL · Enh-C2B, computational designed homodimer: “Computational design and experimental verification of a symmetric homodimer”. X-ray diffraction, 1 pocket (best druggability 0.43). MolNFT v1 #100982 on GenesisL1: 3D structure, binding…
- PDB
- 4NDL
- Type
- protein
- Length
- 134 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enh-C2B, computational designed homodimer
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, C | Enh-C2B, computational designed homodimer | protein | 45 | 69% helix, 0% strand | — |
| A | Enh-C2B, computational designed homodimer | protein | 44 | 68% helix, 0% strand | — |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.43 | 0.75 | 23 | empty |
Interfaces
2 interfaces between chains.
- B–A · 363 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 92 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4NDL · Computational design and experimental verification of a symmetric homodimer · the same entry in another collection · chain B against B, 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 4NDL · PDBe 4NDL
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