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Crystal structure of the possum milk whey lipocalin trichosurin at pH 8.2

Analyse Crystal structure of the possum milk whey lipocalin trichosurin at pH 8.2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2R73
Type: protein
Length: 583 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trichosurin
UniProt: Q29147
Pockets: 8 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D	Trichosurin	protein	146	12% helix, 49% strand	Q29147
B	Trichosurin	protein	145	16% helix, 48% strand	Q29147

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	50	0.72	0.98	14	empty
2	55	0.72	0.98	18	empty
3	152	0.65	0.86	24	empty
4	123	0.60	0.85	26	empty
5	154	0.55	0.81	24	empty

Interfaces

3 interfaces between chains.

B–D · 962 Å² buried · 15 hydrogen bonds · protein-protein
A–C · 950 Å² buried · 11 hydrogen bonds · protein-protein
A–D · 202 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2R73 · Crystal Structure of the Possum Milk Whey Lipocalin Trichosurin at pH 8.2 · the same entry in another collection · chain A against A, TM-score 1.00
Q29147 · AlphaFold monomer V2.0 prediction for trichosurin (Q29147) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q29147
Elsewhere: RCSB PDB 2R73 · PDBe 2R73 · UniProt Q29147

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