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MolNFT v1 · #50950 · protein

On the disordered activation domain in trypsinogen. chemical labelling and low-temperature crystallography

2TPI: “On the disordered activation domain in trypsinogen. chemical labelling and low-temperature crystallography”. X-ray diffraction, 1 ligand (HG). MolNFT v1 #50950 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2TPI
Type
protein
Length
278 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsinogen; Trypsin inhibitor
EC
3.4.21.4
UniProt
P00760, P00974
Ligands
HG

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ZTrypsinogen (EC 3.4.21.4)protein22210% helix, 33% strandP00760
ITrypsin inhibitorprotein5620% helix, 29% strandP00974

Ligands and binding sites

  • HG · Mercury (II) ion · metal · chains Z

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

Interfaces

1 interface between chains.

  • Z–I · 724 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 2TPI · On the disordered activation domain in trypsinogen. chemical labelling and… · the same entry in another collection · chain I against I, TM-score 1.00
  • 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.99
  • 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.99
  • 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.99
  • 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.99
  • 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.99
  • 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain Z against A, TM-score 0.99
  • P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain I against A, TM-score 0.98

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