MolNFT v1 · #143495 · protein

Structure of pr 10 allergen ara H 8.01 with quercetin

6B1D · Ara H 8 allergen: “Structure of pr 10 allergen ara H 8.01 with quercetin”. X-ray diffraction, 2 ligands (QUE, BGC), 6 pockets (best druggability 0.82). MolNFT v1 #143495 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6B1D
Type: protein
Length: 468 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ara H 8 allergen
UniProt: Q6VT83
Ligands: QUE, BGC
Pockets: 6 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Ara H 8 allergen	protein	156	28% helix, 46% strand	Q6VT83

Ligands and binding sites

QUE · 3,5,7,3',4'-pentahydroxyflavone · ligand · 2 copies · chains A, C
BGC · beta-D-glucopyranose · sugar · chains C

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	581	0.82	0.87	60	QUE, BGC
2	618	0.82	0.87	64	QUE
3	270	0.70	0.84	45	empty
4	154	0.51	0.79	25	empty
5	58	0.35	0.78	14	empty

Interfaces

2 interfaces between chains.

A–C · 665 Å² buried · 12 hydrogen bonds · protein-protein
B–C · 559 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6B1D · Structure of PR 10 Allergen Ara h 8.01 with Quercetin · 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 6B1D · PDBe 6B1D · UniProt Q6VT83

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