MolNFT v1 · #169329 · protein

Caspase-3 in complex with elongated ketomethylene inhibitor

6X8K: “Caspase-3 in complex with elongated ketomethylene inhibitor”. X-ray diffraction, 1 ligand (ACE). MolNFT v1 #169329 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6X8K
Type: protein
Length: 476 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P42574
Ligands: ACE

Structure

x-ray diffraction · 5 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	140	—	P42574
B	—	protein	140	—	P42574
C	—	protein	90	—	P42574
D	—	protein	92	—	P42574
E, F	—	protein	7	—	—

Ligands and binding sites

ACE · Acetyl group · ligand · 2 copies · chains C, E, D, F

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

Compared structures

6X8K · Caspase-3 in complex with elongated ketomethylene inhibitor · the same entry in another collection · chain B against B, TM-score 1.00
P42574 · AlphaFold monomer V2.0 prediction for caspase-3 (P42574) · 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 P42574
Elsewhere: RCSB PDB 6X8K · PDBe 6X8K · UniProt P42574

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