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MolNFT v1 · #141001 · protein

Crystal structure of H5 hemagglutinin G228S mutant from A/CHICKEN/TAIWAN/0502/2012

5YT9: “Crystal structure of H5 hemagglutinin G228S mutant from A/CHICKEN/TAIWAN/0502/2012”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.55). MolNFT v1 #141001 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5YT9
Type
protein
Length
495 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemagglutinin
Ligands
NAG
Pockets
3 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHemagglutininprotein49524% helix, 29% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12520.550.7742empty
2950.320.7321empty
3630.320.7518empty

Modifications

Observed in the structure: 5 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 5YT9 · Crystal structure of H5 hemagglutinin G228S mutant from A/chicken/Taiwan/0502/2012 · the same entry in another collection · chain A against A, TM-score 1.00

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