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MolNFT v1 · #31929 · protein

Porcine pancreatic elastase complexed with beta-casomorphin-7 and asp- phe at pH 5.0

2BB4: “Porcine pancreatic elastase complexed with beta-casomorphin-7 and asp- phe at pH 5.0”. X-ray diffraction, 4 ligands (ASP, PHE, CA). MolNFT v1 #31929 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2BB4
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-casomorphin-7; Elastase-1
EC
3.4.21.36
UniProt
P00772
Ligands
ASP, PHE, CA, SO4

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
PBeta-casomorphin-7protein20% helix, 0% strand—
AElastase-1 (EC 3.4.21.36)protein24011% helix, 39% strandP00772

Ligands and binding sites

  • ASP · Aspartic acid · ligand · chains P, A
  • PHE · Phenylalanine · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Interfaces

1 interface between chains.

  • P–A · 228 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

  • 2BB4 · Porcine pancreatic elastase complexed with beta-casomorphin-7 and Asp-Phe at pH 5.0 · the same entry in another collection · chain P against P, TM-score 1.00
  • P00772 · AlphaFold monomer V2.0 prediction for chymotrypsin-like elastase family member 1 (P00772) · a predicted model of the same protein · chain A against A, TM-score 1.00

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