MolNFT v1 · #101355 · protein

Crystal structure of proenzyme asparaginyl endopeptidase (aep) /legumain at pH 7.5

4NOK: “Crystal structure of proenzyme asparaginyl endopeptidase (aep) /legumain at pH 7.5”. X-ray diffraction, 3 pockets (best druggability 0.48). MolNFT v1 #101355 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4NOK
Type: protein
Length: 404 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Legumain
EC: 3.4.22.34
UniProt: O89017
Pockets: 3 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Legumain (EC 3.4.22.34)	protein	404	45% helix, 14% strand	O89017

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	54	0.48	0.85	16	empty
2	63	0.40	0.80	19	empty
3	50	0.25	0.73	19	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4NOK · Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5 · the same entry in another collection · chain A against A, TM-score 1.00
O89017 · AlphaFold monomer V2.0 prediction for legumain (O89017) · 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 O89017
Elsewhere: RCSB PDB 4NOK · PDBe 4NOK · UniProt O89017

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