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MolNFT v1 · #164442 · protein

Cationic trypsin in complex with a D-diphe-pro-pyridine derivative

6SY3: “Cationic trypsin in complex with a D-diphe-pro-pyridine derivative”. X-ray diffraction, 2 ligands (LXW, CA). MolNFT v1 #164442 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6SY3
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00760
Ligands
LXW, CA

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein223—P00760

Ligands and binding sites

  • LXW · (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A

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

Compared structures

  • 6SY3 · Cationic Trypsin in Complex with a D-DiPhe-Pro-pyridine derivative · the same entry in another collection · chain A against A, TM-score 1.00
  • 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
  • 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
  • 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
  • 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
  • 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
  • 1TNI · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00

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