MolNFT v1 · #143612 · protein

Crystal structure of brazil nut (bertholletia excelsa) allergen ber E 2

6B4S · 11S globulin: “Crystal structure of brazil nut (bertholletia excelsa) allergen ber E 2”. X-ray diffraction, 6 pockets (best druggability 0.68). MolNFT v1 #143612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6B4S
Type: protein
Length: 715 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 11S globulin
UniProt: Q84ND2
Pockets: 6 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	11S globulin	protein	364	13% helix, 41% strand	Q84ND2
B	11S globulin	protein	351	10% helix, 43% strand	Q84ND2

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	241	0.68	0.85	33	empty
2	164	0.68	0.87	35	empty
3	102	0.67	0.91	26	empty
4	253	0.64	0.81	30	empty
5	215	0.62	0.82	25	empty

Interfaces

1 interface between chains.

A–B · 1708 Å² buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6B4S · Crystal Structure of Brazil nut (Bertholletia excelsa) allergen Ber e 2 · 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 Q84ND2
Elsewhere: RCSB PDB 6B4S · PDBe 6B4S · UniProt Q84ND2

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