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MolNFT v1 · #21329 · protein

Porcine trypsin complexed with guanidine-3-propanol inhibitor

1S6H: “Porcine trypsin complexed with guanidine-3-propanol inhibitor”. X-ray diffraction, 4 ligands (4BZ, CA, MG). MolNFT v1 #21329 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1S6H
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
P00761
Ligands
4BZ, CA, MG, SO4

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrypsin (EC 3.4.21.4)protein22310% helix, 35% strandP00761

Ligands and binding sites

  • 4BZ · 4-(hydroxymethyl)benzamidine · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 2 copies · 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

  • 1S6H · Porcine trypsin complexed with guanidine-3-propanol inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • P00761 · AlphaFold monomer V2.0 prediction for trypsin (P00761) · a predicted model of the same protein · chain A against A, TM-score 1.00

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