MolNFT v1 · #166665 · protein

Cruzain covalently bound by a vinylsulfone compound

6UX6 · Cruzipain: “Cruzain covalently bound by a vinylsulfone compound”. X-ray diffraction, 1 ligand (TM8). MolNFT v1 #166665 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6UX6
Type: protein
Length: 215 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cruzipain
EC: 3.4.22.51
UniProt: P25779
Ligands: TM8

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cruzipain (EC 3.4.22.51)	protein	215	24% helix, 24% strand	P25779

Ligands and binding sites

TM8 · Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide · ligand · chains A
GOL · Glycerol · additive · chains A

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

Modifications

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

Compared structures

6UX6 · Cruzain covalently bound by a vinylsulfone compound · 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 6UX6 · PDBe 6UX6 · UniProt P25779

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