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Clitocypin, a beta-trefoil cysteine protease inhibitor

Analyse Clitocypin, a beta-trefoil cysteine protease inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3H6R
Type: protein
Length: 304 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.948
Source: Clitocybe nebularis
Molecule: Clitocypin analog
UniProt: Q3Y9I4
Pockets: 4 · best druggability 0.46

Structure

x-ray diffraction · resolution 1.948 · 2 distinct chains · 2% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Clitocypin analog	protein	152	2% helix, 45% strand	Q3Y9I4
B	Clitocypin analog	protein	152	2% helix, 46% strand	Q3Y9I4

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	197	0.46	0.75	21	empty
2	88	0.32	0.74	19	empty
3	61	0.28	0.74	19	empty
4	59	0.26	0.73	18	empty

Interfaces

1 interface between chains.

A–B · 134 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3H6R · Clitocypin, a beta-trefoil cysteine protease inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
Q3Y9I4 · AlphaFold monomer V2.0 prediction for clitocypin-2 (Q3Y9I4) · a predicted model of the same protein · chain B 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 Q3Y9I4
Elsewhere: RCSB PDB 3H6R · PDBe 3H6R · UniProt Q3Y9I4

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