› 6coi

X-ray diffraction
2.02Å resolution

AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE

Released:
DOI: 10.2210/pdb6coi/pdb
PDB entry 6coi coloured by chain, front view.
PDB entry 6coi coloured by chain, side view.
PDB entry 6coi coloured by chain, top view.
Source organism: Arabidopsis thaliana
Entry authors: Jones BJ, Kazlauskas RJ, Desrouleaux R

Function and Biology Details

Reaction catalysed: 
(R)-mandelonitrile = cyanide + benzaldehyde
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192275 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha-hydroxynitrile lyase Chains: A, B
Molecule details ›
Chains: A, B
Length: 260 amino acids
Theoretical weight: 29.48 KDa
Source organism: Arabidopsis thaliana
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9LFT6 (Residues: 1-258; Coverage: 100%)
Gene names: At5g10300, F18D22_70, HNL, MES5
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

5 bound ligands:
Ligand GOL 1 x GOL
Ligand CYN 1 x CYN
Ligand HBX 3 x HBX
Ligand MXN 1 x MXN
Ligand MNN 1 x MNN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 49.917Å b: 86.943Å c: 122.982Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.19 0.258
Expression system: Escherichia coli BL21(DE3)

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