MolNFT v1 · #109662 · protein
Crystal structure of DSCAM1 isoform 9.44, N-terminal four ig domains
4X9I · Down syndrome cell adhesion molecule, isoform 9.44: “Crystal structure of DSCAM1 isoform 9.44, N-terminal four ig domains”. X-ray diffraction, 3 ligands (NAG, BMA, MAN), 3 pockets (best druggability 0.84). MolNFT v1 #109662 on…
- PDB
- 4X9I
- Type
- protein
- Length
- 784 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Down syndrome cell adhesion molecule, isoform 9.44
- Ligands
- NAG, BMA, MAN
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Down syndrome cell adhesion molecule, isoform 9.44 | protein | 391 | 3% helix, 52% strand | — |
| B | Down syndrome cell adhesion molecule, isoform 9.44 | protein | 393 | 3% helix, 52% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1149 | 0.84 | 0.85 | 147 | empty |
| 2 | 457 | 0.70 | 0.81 | 54 | empty |
| 3 | 50 | 0.28 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1019 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 4X9I · Crystal structure of Dscam1 isoform 9.44, N-terminal four Ig domains · 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 4X9I · PDBe 4X9I
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