› 3rxp

X-ray diffraction
1.6Å resolution

Crystal structure of Trypsin complexed with (1,5-dimethylpyrazol-3-yl)methanamine

Released:
DOI: 10.2210/pdb3rxp/pdb
PDB entry 3rxp coloured by chain, front view.
PDB entry 3rxp coloured by chain, side view.
PDB entry 3rxp 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)
Assembly name:
PDBe Complex ID:
PDB-CPX-133319 (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

4 bound ligands:
Ligand CA 1 x CA
Ligand GOL 2 x GOL
Ligand DMS 3 x DMS
Ligand SW3 1 x SW3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P212121
Unit cell:
a: 54.449Å b: 58.342Å c: 66.651Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.168 0.196

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