MolNFT v1 · #55589 · protein

Haemagglutinin of 2005 human H3N2 virus

2YP7 · Hemagglutinin: “Haemagglutinin of 2005 human H3N2 virus”. X-ray diffraction, 3 ligands (TAM, NAG, MAN), 3 pockets (best druggability 0.57). MolNFT v1 #55589 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2YP7
Type: protein
Length: 490 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemagglutinin
UniProt: I2D7A8
Ligands: TAM, NAG, MAN
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hemagglutinin	protein	490	25% helix, 31% strand	I2D7A8

Ligands and binding sites

TAM · Tris(hydroxyethyl)aminomethane · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A
MAN · alpha-D-mannopyranose · sugar
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	253	0.57	0.78	44	EPE
2	52	0.54	0.89	18	empty
3	51	0.30	0.76	13	empty

Modifications

Observed in the structure: 8 glycan, 6 disulfide (N-glycosylation, disulfide).

Compared structures

2YP7 · Haemagglutinin of 2005 Human H3N2 Virus · 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 I2D7A8
Elsewhere: RCSB PDB 2YP7 · PDBe 2YP7 · UniProt I2D7A8

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