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Crystal structure of cruzain bound to wrr-99

Analyse Crystal structure of cruzain bound to wrr-99 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1EWL
Type: protein
Length: 215 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cruzain
EC: 3.4.22.-
UniProt: P25779
Ligands: R99
Pockets: 1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cruzain (EC 3.4.22.-)	protein	215	28% helix, 23% strand	P25779

Ligands and binding sites

R99 · N-[3-carboxy-2-hydroxy-propionyl]-D-homophenylalanyl-amino-2-methylbutane · ligand · chains 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	53	0.33	0.77	13	empty

Modifications

Observed in the structure: 3 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

1EWL · Crystal structure of cruzain bound to wrr-99 · the same entry in another collection · chain A against A, TM-score 1.00
P25779 · AlphaFold monomer V2.0 prediction for cruzipain (P25779) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P25779
Elsewhere: RCSB PDB 1EWL · PDBe 1EWL · UniProt P25779

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