MolNFT v1 · #143975 · protein

Caspase-3 mutant- D9A,D28A,T245D

6BFL: “Caspase-3 mutant- D9A,D28A,T245D”. X-ray diffraction, 3 ligands (ACE, 0QE, AZI). MolNFT v1 #143975 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6BFL
Type: protein
Length: 238 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-3; Ac-asp-glu-val-asp-cmk
EC: 3.4.22.56
UniProt: P42574
Ligands: ACE, 0QE, AZI

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Caspase-3 (EC 3.4.22.56)	protein	141	27% helix, 30% strand	P42574
B	Caspase-3 (EC 3.4.22.56)	protein	93	33% helix, 18% strand	P42574
C	Ac-asp-glu-val-asp-cmk	protein	4	0% helix, 50% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · chains B, C
0QE · Chloromethane · ion · chains A, C
AZI · Azide ion · ion · chains A

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

Interfaces

3 interfaces between chains.

A–B · 2252 Å² buried · 35 hydrogen bonds · protein-protein
B–C · 402 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 221 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

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

Compared structures

6BFL · Caspase-3 Mutant- D9A,D28A,T245D · the same entry in another collection · chain A against A, TM-score 1.00
P42574 · AlphaFold monomer V2.0 prediction for caspase-3 (P42574) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 6BFL · PDBe 6BFL · UniProt P42574

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