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Crystal structure of valacyclovir hydrolase complexed with a product analogue

X-ray diffraction
1.9Å resolution
PDB entry 2oci coloured by chain, front view.
PDB entry 2oci coloured by chain, side view.
PDB entry 2oci coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Valacyclovir hydrolase
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Multimeric state: monomeric
Accessible surface area: 11077.42 Å2
Buried surface area: 696.52 Å2
Dissociation area: 39.7 Å2
Dissociation energy (ΔGdiss): 5.73 kcal/mol
Dissociation entropy (TΔSdiss): -1.47 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-183230

Macromolecules

Valacyclovir hydrolase
Chain: A
Length: 254 amino acids
Theoretical weight: 28.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q86WA6 (Residues: 38-291; Coverage: 100%)
Gene names: BPHL, MCNAA
Pfam: alpha/beta hydrolase fold
InterPro:
CATH: alpha/beta hydrolase
Valacyclovir hydrolase in PDB entry 2oci, assembly 1, front view.
Valacyclovir hydrolase in PDB entry 2oci, assembly 1, side view.
Valacyclovir hydrolase in PDB entry 2oci, assembly 1, top view.
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