MolNFT v1 · #57888 · protein
Crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (mv-H(L482R)-SLAM(N102H/R108Y) fusion)
3ALX · HEMAGGLUTININ,LINKER,CDW150: “Crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam…”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.84). MolNFT v1 #57888 on GenesisL1: 3D…
- PDB
- 3ALX
- Type
- protein
- Length
- 2,059 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HEMAGGLUTININ,LINKER,CDW150
- UniProt
- E2RZS2, Q9GJT3
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HEMAGGLUTININ,LINKER,CDW150 | protein | 515 | 6% helix, 48% strand | E2RZS2, Q9GJT3 |
| B | HEMAGGLUTININ,LINKER,CDW150 | protein | 526 | 6% helix, 47% strand | E2RZS2, Q9GJT3 |
| C | HEMAGGLUTININ,LINKER,CDW150 | protein | 514 | 6% helix, 49% strand | E2RZS2, Q9GJT3 |
| D | HEMAGGLUTININ,LINKER,CDW150 | protein | 504 | 6% helix, 47% strand | E2RZS2, Q9GJT3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.84 | 0.94 | 37 | empty |
| 2 | 341 | 0.82 | 0.91 | 45 | empty |
| 3 | 422 | 0.78 | 0.87 | 48 | empty |
| 4 | 560 | 0.77 | 0.84 | 82 | empty |
| 5 | 462 | 0.76 | 0.85 | 54 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1079 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 1022 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 899 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 806 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 375 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 23 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 3ALX · Crystal structure of the measles virus hemagglutinin bound to its cellular receptor SLAM… · 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 E2RZS2
- Every structure of UniProt Q9GJT3
- Elsewhere: RCSB PDB 3ALX · PDBe 3ALX · UniProt E2RZS2 · UniProt Q9GJT3
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