MolNFT v1 · #125619 · protein
Crystal structure of darpin-darpin rigid fusion, variant DD_D12_15_D12
5LE8: “Crystal structure of darpin-darpin rigid fusion, variant DD_D12_15_D12”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.86). MolNFT v1 #125619 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5LE8
- Type
- protein
- Length
- 636 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DD_D12_15_D12
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DD_D12_15_D12 | protein | 318 | 56% helix, 0% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 15 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 263 | 0.86 | 0.97 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 833 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5LE8 · Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_15_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 5LE8 · PDBe 5LE8
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