MolNFT v1 · #35128 · protein
Crystal structure of two repeat fragment of reelin
2E26: “Crystal structure of two repeat fragment of reelin”. X-ray diffraction, 4 ligands (NAG, BMA, CA), 5 pockets (best druggability 0.80). MolNFT v1 #35128 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2E26
- Type
- protein
- Length
- 705 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reelin
- EC
- 3.4.21.-
- UniProt
- Q60841
- Ligands
- NAG, BMA, CA, ZN
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Reelin (EC 3.4.21.-) | protein | 705 | 4% helix, 41% strand | Q60841 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- CA · Calcium ion · metal · 4 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1106 | 0.80 | 0.81 | 101 | empty |
| 2 | 847 | 0.75 | 0.79 | 64 | empty |
| 3 | 145 | 0.45 | 0.76 | 25 | empty |
| 4 | 88 | 0.41 | 0.78 | 19 | ACT |
| 5 | 57 | 0.30 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 12 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 2E26 · Crystal structure of two repeat fragment of reelin · 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
- Every structure of UniProt Q60841
- Elsewhere: RCSB PDB 2E26 · PDBe 2E26 · UniProt Q60841
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