MolNFT v1 · #71605 · protein
Crystal structure of the complex of jaml and coxsackie and adenovirus receptor, car
3MJ7 · Junctional adhesion molecule-like: “Crystal structure of the complex of jaml and coxsackie and adenovirus receptor, car”. X-ray diffraction, 4 ligands (NAG, BMA, MAN), 2 pockets (best druggability 0.55). MolNFT v1 #71605 on…
- PDB
- 3MJ7
- Type
- protein
- Length
- 418 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Junctional adhesion molecule-like; Coxsackievirus and adenovirus receptor homolog
- UniProt
- Q80UL9, P97792
- Ligands
- NAG, BMA, MAN, FUC
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Junctional adhesion molecule-like | protein | 229 | 5% helix, 49% strand | Q80UL9 |
| B | Coxsackievirus and adenovirus receptor homolog | protein | 189 | 8% helix, 41% strand | P97792 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
- FUC · alpha-L-fucopyranose · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 314 | 0.55 | 0.76 | 38 | empty |
| 2 | 102 | 0.47 | 0.80 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 911 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 3MJ7 · Crystal structure of the complex of JAML and Coxsackie and Adenovirus receptor, CAR · the same entry in another collection · chain A against A, TM-score 1.00
- Q80UL9 · AlphaFold monomer V2.0 prediction for junctional adhesion molecule- like (Q80UL9) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P97792 · AlphaFold monomer V2.0 prediction for coxsackievirus and adenovirus receptor homolog… · a predicted model of the same protein · chain B against A, TM-score 0.82
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 Q80UL9
- Every structure of UniProt P97792
- Elsewhere: RCSB PDB 3MJ7 · PDBe 3MJ7 · UniProt Q80UL9 · UniProt P97792
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