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MolNFT v1 · #57890 · protein

Crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (form I)

3ALZ: “Crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (form I)”. X-ray diffraction, 1 ligand (NAG), 10 pockets (best druggability 0.79). MolNFT v1 #57890 on GenesisL1: 3D structure, binding sites…

PDB
3ALZ
Type
protein
Length
526 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemagglutinin; CDW150
UniProt
E2RZS2, Q9GJT3
Ligands
NAG
Pockets
10 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHemagglutininprotein4176% helix, 47% strandE2RZS2
BCDW150protein1093% helix, 47% strandQ9GJT3

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14280.790.8750empty
21900.610.8330empty
33000.570.7739empty
4710.460.8221empty
51170.460.7823empty

Interfaces

1 interface between chains.

  • A–B · 1053 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 3ALZ · 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

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