MolNFT v1 · #62303 · protein

Crystal structure of major allergens, bla G 4 from cockroaches

3EBK · Allergen bla G 4: “Crystal structure of major allergens, bla G 4 from cockroaches”. X-ray diffraction, 5 pockets (best druggability 0.77). MolNFT v1 #62303 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3EBK
Type: protein
Length: 329 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Allergen bla G 4
UniProt: P54962
Pockets: 5 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Allergen bla G 4	protein	165	24% helix, 38% strand	P54962
B	Allergen bla G 4	protein	164	23% helix, 38% strand	P54962

Pockets

5 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	78	0.77	0.99	17	empty
2	68	0.76	0.99	18	empty
3	119	0.46	0.78	20	empty
4	120	0.38	0.74	33	empty
5	52	0.26	0.74	10	empty

Interfaces

1 interface between chains.

A–B · 640 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3EBK · Crystal structure of major allergens, Bla g 4 from cockroaches · the same entry in another collection · chain A against A, TM-score 1.00
P54962 · AlphaFold monomer V2.0 prediction for allergen bla G 4 (P54962) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P54962
Elsewhere: RCSB PDB 3EBK · PDBe 3EBK · UniProt P54962

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