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MolNFT v1 · #127125 · protein

Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K)

5MNB: “Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K)”. X-ray diffraction, 3 ligands (2AP, CA, SO4). MolNFT v1 #127125 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5MNB
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cationic trypsin
EC
3.4.21.4
UniProt
P00760
Ligands
2AP, CA, SO4

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACationic trypsin (EC 3.4.21.4)protein22310% helix, 34% strandP00760

Ligands and binding sites

  • 2AP · 2-aminopyridine · ligand · chains A
  • CA · Calcium 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

  • 5MNB · Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K) · the same entry in another collection · 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
  • 1TNH · 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
  • 1TNG · 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
  • 1TNJ · 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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