MolNFT v1 · #81680 · protein

Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin

3UYX: “Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin”. X-ray diffraction, 1 ligand (NO3), 9 pockets (best druggability 0.66). MolNFT v1 #81680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3UYX
Type: protein
Length: 424 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemagglutinin
UniProt: C3W5S1
Ligands: NO3
Pockets: 9 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hemagglutinin	protein	212	12% helix, 37% strand	C3W5S1

Ligands and binding sites

NO3 · Nitrate ion · ion · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	421	0.66	0.79	48	empty
2	131	0.47	0.78	32	empty
3	54	0.41	0.82	18	empty
4	67	0.39	0.79	16	empty
5	64	0.39	0.79	13	empty

Interfaces

1 interface between chains.

A–B · 646 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3UYX · Crystal structures of globular head of 2009 pandemic H1N1 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 C3W5S1
Elsewhere: RCSB PDB 3UYX · PDBe 3UYX · UniProt C3W5S1

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