MolNFT v1 · #37658 · protein

Calpain 1 proteolytic core in complex with snj-1945, a alpha- ketoamide-type inhibitor.

2G8J · Calpain-1 catalytic subunit: “Calpain 1 proteolytic core in complex with snj-1945, a alpha- ketoamide-type inhibitor.”. X-ray diffraction, 2 ligands (D7G, CA). MolNFT v1 #37658 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 2G8J
Type: protein
Length: 322 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calpain-1 catalytic subunit
EC: 3.4.22.52
UniProt: P97571
Ligands: D7G, CA

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calpain-1 catalytic subunit (EC 3.4.22.52)	protein	322	32% helix, 24% strand	P97571

Ligands and binding sites

D7G · ((1S)-1-((((1S)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl)amino)carbonyl)-3-methylbutyl)carbamic acid 5-methoxy-3-oxapentyl ester · ligand · chains A
CA · Calcium ion · metal · 2 copies · chains A

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

2G8J · Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor. · the same entry in another collection · chain A against A, TM-score 1.00
P97571 · AlphaFold monomer V2.0 prediction for calpain-1 catalytic subunit (P97571) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P97571
Elsewhere: RCSB PDB 2G8J · PDBe 2G8J · UniProt P97571

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