MolNFT v1 · #62315 · protein

Crystal structure of major allergens, per a 4 from cockroaches

3EBW · Per a 4 allergen: “Crystal structure of major allergens, per a 4 from cockroaches”. X-ray diffraction, 2 pockets (best druggability 0.68). MolNFT v1 #62315 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3EBW
Type: protein
Length: 314 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Per a 4 allergen
UniProt: Q1M0Y5
Pockets: 2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Per a 4 allergen	protein	157	11% helix, 41% strand	Q1M0Y5

Ligands and binding sites

PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · 2 copies · chains A, B

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

Pockets

2 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	327	0.68	0.82	35	PE4
2	328	0.67	0.82	33	PE4

Interfaces

1 interface between chains.

A–B · 708 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified, 4 disulfide (engineered, disulfide).

Compared structures

3EBW · Crystal structure of major allergens, Per a 4 from cockroaches · 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 Q1M0Y5
Elsewhere: RCSB PDB 3EBW · PDBe 3EBW · UniProt Q1M0Y5

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