MolNFT v1 · #128894 · protein

Crystal structure of iristatin, a secreted salivary cystatin from the hard tick ixodes ricinus

5O46: “Crystal structure of iristatin, a secreted salivary cystatin from the hard tick ixodes ricinus”. X-ray diffraction, 1 pocket (best druggability 0.55). MolNFT v1 #128894 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5O46
Type: protein
Length: 228 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Iristatin
Pockets: 1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	Iristatin	protein	114	14% helix, 48% strand	—

Ligands and binding sites

GOL · Glycerol · additive · 3 copies · chains B, A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	359	0.55	0.74	43	empty

Interfaces

1 interface between chains.

B–A · 629 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

5O46 · Crystal structure of Iristatin, a secreted salivary cystatin from the hard tick Ixodes… · the same entry in another collection · chain B against B, 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 5O46 · PDBe 5O46

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