MolNFT v1 · #158597 · protein

Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat DOMAIN+VI

6NYX · Fusion glycoprotein F0: “Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat DOMAIN+VI”. X-ray diffraction, 1 ligand (NH2), 7 pockets (best druggability 0.80). MolNFT v1 #158597 on GenesisL1: 3D structure…

PDB: 6NYX
Type: protein
Length: 743 residues
Chains: 18
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fusion glycoprotein F0
UniProt: Q84193
Ligands: NH2
Pockets: 7 · best druggability 0.80

Structure

x-ray diffraction · 10 distinct chains · 92% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fusion glycoprotein F0	protein	46	91% helix, 0% strand	Q84193
B, L	Fusion glycoprotein F0	protein	48	92% helix, 0% strand	Q84193
C	Fusion glycoprotein F0	protein	48	96% helix, 0% strand	Q84193
D	Fusion glycoprotein F0	protein	49	96% helix, 0% strand	Q84193
E	Fusion glycoprotein F0	protein	48	96% helix, 0% strand	Q84193
F	Fusion glycoprotein F0	protein	49	96% helix, 0% strand	Q84193
G, I, K	Fusion glycoprotein F0	protein	35	77% helix, 0% strand	Q84193
H	Fusion glycoprotein F0	protein	50	96% helix, 0% strand	Q84193
J	Fusion glycoprotein F0	protein	48	96% helix, 0% strand	Q84193
M, N, O, P, Q, T	Fusion glycoprotein F0	protein	34	76% helix, 0% strand	Q84193

Ligands and binding sites

NH2 · Amino group · ion · 3 copies · chains H, C, M, F, P
PG4 · Tetraethylene glycol · additive · chains B, G, H, O
PEG · Di(hydroxyethyl)ether · additive · chains L

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	706	0.80	0.85	46	empty
2	332	0.76	0.87	34	empty
3	835	0.75	0.79	67	PG4
4	53	0.42	0.83	13	empty
5	93	0.38	0.77	17	empty

Interfaces

37 interfaces between chains.

E–P · 1007 Å² buried · 10 hydrogen bonds · protein-protein
I–J · 1003 Å² buried · 9 hydrogen bonds · protein-protein
G–H · 1002 Å² buried · 8 hydrogen bonds · protein-protein
D–T · 991 Å² buried · 14 hydrogen bonds · protein-protein
B–M · 986 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6NYX · Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VI · 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 Q84193
Elsewhere: RCSB PDB 6NYX · PDBe 6NYX · UniProt Q84193

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