› 4po3

X-ray diffraction
1.96Å resolution

Crystal structure of a C4-C4 SN3 tributyrin phosphonate inhibited by ESTERASE B from LACTOBACILLUS RHAMNOSIS

Released:
DOI: 10.2210/pdb4po3/pdb
PDB entry 4po3 coloured by chain, front view.
PDB entry 4po3 coloured by chain, side view.
PDB entry 4po3 coloured by chain, top view.
Source organism: Lacticaseibacillus rhamnosus HN001
Entry authors: Bennett MD, Anderson BF, Norris GE, Colbert DA

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109503 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
BD-FAE-like domain-containing protein Chain: X
Molecule details ›
Chain: X
Length: 317 amino acids
Theoretical weight: 35.79 KDa
Source organism: Lacticaseibacillus rhamnosus HN001
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B2CZF4 (Residues: 1-317; Coverage: 100%)
Sequence domains: BD-FAE
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand HY4 1 x HY4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-002
Spacegroup: I4
Unit cell:
a: 109.853Å b: 109.853Å c: 59.335Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.164 0.208
Expression system: Escherichia coli BL21(DE3)

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