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MolNFT v1 · #74838 · protein

Crystal structure of mt-SP1 in complex with sfti-1

3P8F · ST14 protein: “Crystal structure of mt-SP1 in complex with sfti-1”. X-ray diffraction, 1 ligand (GSH). MolNFT v1 #74838 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3P8F
Type
protein
Length
255 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ST14 protein; Trypsin inhibitor 1
EC
3.4.21.109
UniProt
Q8WVC1, Q4GWU5
Ligands
GSH

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AST14 protein (EC 3.4.21.109)protein24110% helix, 36% strandQ8WVC1
ITrypsin inhibitor 1protein140% helix, 29% strandQ4GWU5

Ligands and binding sites

  • GSH · Glutathione · ligand · chains A

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

Interfaces

1 interface between chains.

  • A–I · 778 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 3P8F · Crystal Structure of MT-SP1 in complex with SFTI-1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q4GWU5 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 1 (Q4GWU5) · a predicted model of the same protein · chain I against A, TM-score 0.34

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