› 3v94

X-ray diffraction
2.33Å resolution

TcrPDEC1 catalytic domain in complex with inhibitor wyq16

Released:
DOI: 10.2210/pdb3v94/pdb
PDB entry 3v94 coloured by chain, front view.
PDB entry 3v94 coloured by chain, side view.
PDB entry 3v94 coloured by chain, top view.
Source organism: Trypanosoma cruzi
Entry authors: Wang H, Kunz S, Chen G, Seebeck T, Wan Y, Robinson H, Martinelli S, Ke H

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176108 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphodiesterase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 345 amino acids
Theoretical weight: 37.82 KDa
Source organism: Trypanosoma cruzi
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q53I60 (Residues: 270-614; Coverage: 37%)
Gene names: C3747_13g415, PDEC
Sequence domains: 3'5'-cyclic nucleotide phosphodiesterase
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

3 bound ligands:
Ligand WYQ 8 x WYQ
Ligand ZN 8 x ZN
Ligand MG 8 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P41212
Unit cell:
a: 131.147Å b: 131.147Å c: 394.861Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.224 0.268
Expression system: Escherichia coli BL21

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