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Human IgE against the major allergen bet V 1 - crystal structure of clone M0418 scfv

Analyse Human IgE against the major allergen bet V 1 - crystal structure of clone M0418… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4BUH
Type: protein
Length: 469 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Clone M0418 scfv
Pockets: 2 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Clone M0418 scfv	protein	237	5% helix, 50% strand	—
B	Clone M0418 scfv	protein	232	7% helix, 51% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · chains A

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

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	1086	0.80	0.81	109	empty
2	63	0.42	0.81	15	empty

Interfaces

1 interface between chains.

A–B · 586 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 2 modified (disulfide, cyclization).

Compared structures

4BUH · Human IgE against the major allergen Bet v 1 - Crystal structure of clone M0418 scFv · 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
Elsewhere: RCSB PDB 4BUH · PDBe 4BUH

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