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MolNFT v1 · #11932 · protein

Bovine trypsin-inhibitor complex

1K1J: “Bovine trypsin-inhibitor complex”. X-ray diffraction, 3 ligands (FD2, CA, SO4). MolNFT v1 #11932 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1K1J
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsin
EC
3.4.21.4
UniProt
P00760
Ligands
FD2, CA, SO4

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrypsin (EC 3.4.21.4)protein22310% helix, 35% strandP00760

Ligands and binding sites

  • FD2 · N-alpha-(2-naphthylsulfonyl)-N(3-amidino-L-phenylalaninyl)isopipecolinic acid methyl ester · 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.

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1K1J · Bovine trypsin-inhibitor complex · the same entry in another collection · chain A against A, TM-score 1.00

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