MolNFT v1 · #143342 · protein

Structure of pr 10 allergen ara H 8.01 in complex with ans

6AWR · Ara H 8 allergen: “Structure of pr 10 allergen ara H 8.01 in complex with ans”. X-ray diffraction, 3 ligands (2AN, NA, SO4), 3 pockets (best druggability 0.77). MolNFT v1 #143342 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6AWR
Type: protein
Length: 312 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ara H 8 allergen
UniProt: Q6VT83
Ligands: 2AN, NA, SO4
Pockets: 3 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ara H 8 allergen	protein	156	29% helix, 45% strand	Q6VT83

Ligands and binding sites

2AN · 8-anilino-1-naphthalene sulfonate · ligand · 2 copies · chains A, B
NA · Sodium ion · metal · 3 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B

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	339	0.77	0.88	39	2AN
2	560	0.75	0.82	63	2AN
3	87	0.39	0.77	13	empty

Interfaces

1 interface between chains.

A–B · 682 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

6AWR · Structure of PR 10 Allergen Ara h 8.01 in complex with ANS · 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 Q6VT83
Elsewhere: RCSB PDB 6AWR · PDBe 6AWR · UniProt Q6VT83

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