MolNFT v1 · #126155 · protein

Crystal structure of human legumain (aep) in complex with compound 11

5LUB: “Crystal structure of human legumain (aep) in complex with compound 11”. X-ray diffraction, 3 ligands (SNN, 3Y7, NAG). MolNFT v1 #126155 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5LUB
Type: protein
Length: 522 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q99538
Ligands: SNN, 3Y7, NAG

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	—	protein	261	—	Q99538

Ligands and binding sites

SNN · L-3-aminosuccinimide · ligand · 2 copies · chains B, A
3Y7 · 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine · ligand · chains B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains B, A

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

Compared structures

5LUB · Crystal structure of human legumain (AEP) in complex with compound 11 · the same entry in another collection · chain B against B, TM-score 1.00
Q99538 · AlphaFold monomer V2.0 prediction for legumain (Q99538) · a predicted model of the same protein · chain B 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 Q99538
Elsewhere: RCSB PDB 5LUB · PDBe 5LUB · UniProt Q99538

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