GL1X · GenesisL1 explorer

MolNFT v1 · #32534 · protein

Bovine trypsin in complex with squash seed inhibitor (cucurbita pepo trypsin inhibitor II)

2BTC · Protein (trypsin): “Bovine trypsin in complex with squash seed inhibitor (cucurbita pepo trypsin inhibitor II)”. X-ray diffraction, 1 ligand (CA). MolNFT v1 #32534 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2BTC
Type
protein
Length
252 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (trypsin); Protein (trypsin inhibitor)
EC
3.4.21.4
UniProt
P00760, P10293
Ligands
CA

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
EProtein (trypsin) (EC 3.4.21.4)protein22310% helix, 36% strandP00760
IProtein (trypsin inhibitor)protein2910% helix, 21% strandP10293

Ligands and binding sites

  • CA · Calcium ion · metal · chains E

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

Interfaces

1 interface between chains.

  • E–I · 830 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

  • 2BTC · Bovine trypsin in complex with squash seed inhibitor (cucurbita pepo trypsin inhibitor II) · the same entry in another collection · chain E against E, TM-score 1.00
  • 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
  • 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
  • 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
  • 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
  • 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
  • 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain E against A, TM-score 1.00
  • P10293 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 3 (P10293) · a predicted model of the same protein · chain I against A, TM-score 0.90

Analyse

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