MolNFT v1 · #158606 · protein

Crystal structure of broadly neutralizing influenza a antibody 429 B01 in complex with hemagglutinin hong kong 1968

6NZ7 · Hemagglutinin HA1 chain: “Crystal structure of broadly neutralizing influenza a antibody 429 B01 in complex with hemagglutinin hong…”. X-ray diffraction, 1 ligand (NAG), 17 pockets (best druggability 0.66). MolNFT v1 #158606 on…

PDB: 6NZ7
Type: protein
Length: 1,829 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemagglutinin HA1 chain; Hemagglutinin HA2 chain; 429 B01 Fab heavy chain; 429 B01 Fab…
UniProt: Q91MA7, A8K008, Q8TCD0
Ligands: NAG
Pockets: 17 · best druggability 0.66

Structure

x-ray diffraction · 6 distinct chains · 21% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Hemagglutinin HA1 chain	protein	319	11% helix, 40% strand	Q91MA7
B	Hemagglutinin HA2 chain	protein	165	62% helix, 13% strand	Q91MA7
H	429 B01 Fab heavy chain	protein	220	5% helix, 45% strand	A8K008
L, I	429 B01 Fab light chain	protein	214	6% helix, 48% strand	Q8TCD0
F	Hemagglutinin HA2 chain	protein	157	59% helix, 13% strand	Q91MA7
G	429 B01 Fab heavy chain	protein	221	7% helix, 49% strand	A8K008

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, H, E, B, G, F

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

Pockets

17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	726	0.66	0.75	73	empty
2	672	0.65	0.75	65	empty
3	436	0.61	0.76	48	empty
4	480	0.58	0.74	50	empty
5	279	0.55	0.76	42	empty

Interfaces

14 interfaces between chains.

A–B · 2392 Å² buried · 43 hydrogen bonds · protein-protein
E–F · 2306 Å² buried · 40 hydrogen bonds · protein-protein
G–I · 1917 Å² buried · 15 hydrogen bonds · protein-protein
H–L · 1863 Å² buried · 15 hydrogen bonds · protein-protein
F–G · 501 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 disulfide, 12 glycan (disulfide, N-glycosylation, glycosylation).

Compared structures

6NZ7 · Crystal structure of broadly neutralizing Influenza A antibody 429 B01 in complex with… · 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 Q91MA7
Every structure of UniProt A8K008
Every structure of UniProt Q8TCD0
Elsewhere: RCSB PDB 6NZ7 · PDBe 6NZ7 · UniProt Q91MA7 · UniProt A8K008 · UniProt Q8TCD0

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