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MolNFT v1 · #1169 · protein

High-resolution structure of ascaris trypsin inhibitor in solution: direct evidence for a pH induced conformational transition in the reactive site

1ATE: “High-resolution structure of ascaris trypsin inhibitor in solution: direct evidence for a pH induced…”. Solution nmr, 1 pocket (best druggability 0.27). MolNFT v1 #1169 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1ATE
Type
protein
Length
62 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ascaris trypsin inhibitor
UniProt
P19398
Pockets
1 · best druggability 0.27

Structure

solution nmr · 1 distinct chain · 0% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAscaris trypsin inhibitorprotein620% helix, 26% strandP19398

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.270.7418empty

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 1ATE · High-resolution structure of ascaris trypsin inhibitor in solution: direct evidence for a… · the same entry in another collection · chain A against A, TM-score 1.00
  • P19398 · AlphaFold monomer V2.0 prediction for trypsin inhibitor (P19398) · a predicted model of the same protein · chain A against A, TM-score 0.61

Analyse

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