MolNFT v1 · #86886 · protein

Crystal structure of a dimeric variant of bet V 1

4BK6 · Major pollen allergen bet V 1-a: “Crystal structure of a dimeric variant of bet V 1”. X-ray diffraction, 2 pockets (best druggability 0.87). MolNFT v1 #86886 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4BK6
Type: protein
Length: 318 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major pollen allergen bet V 1-a
UniProt: P15494
Pockets: 2 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Major pollen allergen bet V 1-a	protein	159	26% helix, 40% strand	P15494

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1178	0.87	0.88	119	empty
2	51	0.26	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 577 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4BK6 · Crystal Structure of a dimeric variant of Bet v 1 · the same entry in another collection · chain A against A, TM-score 1.00
P15494 · AlphaFold monomer V2.0 prediction for major pollen allergen bet V 1-a (P15494) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P15494
Elsewhere: RCSB PDB 4BK6 · PDBe 4BK6 · UniProt P15494

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