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Crystal structure of the dog lipocalin allergen can F 1

Analyse Crystal structure of the dog lipocalin allergen can F 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7DRU
Type: protein
Length: 895 residues
Chains: 7
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Major allergen can F 1
UniProt: O18873
Pockets: 14 · best druggability 0.71

Structure

x-ray diffraction · 7 distinct chains · 10% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Major allergen can F 1	protein	139	11% helix, 50% strand	O18873
B	Major allergen can F 1	protein	129	10% helix, 47% strand	O18873
C	Major allergen can F 1	protein	140	9% helix, 51% strand	O18873
D	Major allergen can F 1	protein	133	10% helix, 52% strand	O18873
E	Major allergen can F 1	protein	110	13% helix, 45% strand	O18873
F	Major allergen can F 1	protein	120	11% helix, 51% strand	O18873
G	Major allergen can F 1	protein	124	10% helix, 51% strand	O18873

Pockets

14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	317	0.71	0.84	47	empty
2	483	0.71	0.81	51	empty
3	237	0.69	0.85	35	empty
4	302	0.67	0.81	40	empty
5	663	0.66	0.76	97	empty

Interfaces

10 interfaces between chains.

B–C · 717 Å² buried · 18 hydrogen bonds · protein-protein
A–E · 674 Å² buried · 18 hydrogen bonds · protein-protein
C–G · 574 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 260 Å² buried · 0 hydrogen bonds · protein-protein
C–E · 257 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

7DRU · Crystal Structure of the Dog Lipocalin Allergen Can f 1 · the same entry in another collection · chain G against G, TM-score 1.00
O18873 · AlphaFold monomer V2.0 prediction for major allergen can F 1 (O18873) · a predicted model of the same protein · chain G 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 O18873
Elsewhere: RCSB PDB 7DRU · PDBe 7DRU · UniProt O18873

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