MolNFT v1 · #109674 · protein

Crystal structure of the kiwifruit allergen act D 5

4X9U · Kiwellin: “Crystal structure of the kiwifruit allergen act D 5”. X-ray diffraction, 3 pockets (best druggability 0.51). MolNFT v1 #109674 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4X9U
Type: protein
Length: 326 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kiwellin
UniProt: P84527
Pockets: 3 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kiwellin	protein	183	10% helix, 27% strand	P84527
B	Kiwellin	protein	143	13% helix, 35% strand	P84527

Pockets

3 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	219	0.51	0.76	24	empty
2	218	0.48	0.75	25	empty
3	105	0.34	0.73	23	empty

Interfaces

1 interface between chains.

A–B · 276 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

4X9U · Crystal structure of the kiwifruit allergen Act d 5 · the same entry in another collection · chain A against A, TM-score 1.00
P84527 · AlphaFold monomer V2.0 prediction for kiwellin (P84527) · 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 P84527
Elsewhere: RCSB PDB 4X9U · PDBe 4X9U · UniProt P84527

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