MolNFT v1 · #187103 · protein

Crystal structure of cruzain with gallinamide analog from 2-indolyl series

7S19: “Crystal structure of cruzain with gallinamide analog from 2-indolyl series”. X-ray diffraction, 1 ligand (83K). MolNFT v1 #187103 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7S19
Type: protein
Length: 215 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P25779
Ligands: 83K

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	215	—	P25779

Ligands and binding sites

83K · N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide · ligand · chains A

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

Compared structures

7S19 · Crystal structure of cruzain with gallinamide analog from 2-indolyl series · 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 7S19 · PDBe 7S19 · UniProt P25779

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