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MolNFT v1 · #16590 · protein

Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors

1O3J · Beta-trypsin: “Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease…”. X-ray diffraction, 2 ligands (334, CA). MolNFT v1 #16590 on GenesisL1: 3D structure, binding sites and…

PDB
1O3J
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-trypsin
EC
3.4.21.4
UniProt
P00760
Ligands
334, CA

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-trypsin (EC 3.4.21.4)protein22310% helix, 35% strandP00760

Ligands and binding sites

  • 334 · 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate · ligand · chains A
  • CA · Calcium ion · metal · 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

  • 1O3J · Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active… · the same entry in another collection · chain A against A, TM-score 1.00

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