MolNFT v1 · #76622 · protein

Crystal structure of the HA1 receptor binding domain of H2 hemagglutinin

3QQI: “Crystal structure of the HA1 receptor binding domain of H2 hemagglutinin”. X-ray diffraction, 1 ligand (NAG), 1 pocket (best druggability 0.60). MolNFT v1 #76622 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3QQI
Type: protein
Length: 438 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemagglutinin
UniProt: C7S226
Ligands: NAG
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hemagglutinin	protein	219	14% helix, 39% strand	C7S226

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	250	0.60	0.80	30	empty

Interfaces

1 interface between chains.

A–B · 465 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

3QQI · Crystal structure of the HA1 receptor binding domain of H2 hemagglutinin · 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 C7S226
Elsewhere: RCSB PDB 3QQI · PDBe 3QQI · UniProt C7S226

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