› 3atm

X-ray diffraction
1.72Å resolution

Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine

Released:
DOI: 10.2210/pdb3atm/pdb
PDB entry 3atm coloured by chain, front view.
PDB entry 3atm coloured by chain, side view.
PDB entry 3atm coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
Yamane J, Yao M, Zhou Y, Hiramatsu Y, Fujiwara K, Yamaguchi T, Yamaguchi H, Togame H, Tsujishita H, Takemoto H, Tanaka I
J Appl Crystallogr 44 798-804 (2011)

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Arg-|-, Lys-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine protease 1 Chain: A
Molecule details ›
Chain: A
Length: 223 amino acids
Theoretical weight: 23.32 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00760 (Residues: 24-246; Coverage: 97%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

3 bound ligands:
Ligand CA 1 x CA
Ligand DMS 3 x DMS
Ligand TSS 1 x TSS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P212121
Unit cell:
a: 54.323Å b: 58.139Å c: 66.726Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.155 0.171

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