Structure of PDB 7vb5 Chain C Binding Site BS04

Receptor Information
>7vb5 Chain C (length=408) Species: 4006 (Linum usitatissimum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVITCKAIMLKEAKLPGMSYADTVQIIDIQVDPPQNVELRVKMLCASVCR
TDILTIEGFMAPTQFPKINGHEGVGIIESMGPDTKNFKVGDVIVAPTLGE
CQTCSSCRSGRTNFCQNYGANESALEPDGTSRFSYIDSDGKKKLLYYKLG
CSTWTQYMVVDSNYATKLNEIAPELPPPHGSILSCAFATGYGAVWLDAAV
QEGDSVAIFGVGSVGISAVIAAKELKAKQIIVVDRNEYKLKMAMELGATH
CINSEKLPEGVTPSQAVRKLTPKEVGVDASIESSGYDVFMNEAMKAAIHG
KAKTVITGEGIYENDRIFFDFKDFLFGGNVVGNVTGRVRIHSDFPGLLRK
AQEPVIRAGMDKILGYDAATMKCKYEVDIREGTPALLKALEEVENVDCVK
LVIKLNDY
Ligand information
Ligand IDCNH
InChIInChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
InChIKeyMWFMGBPGAXYFAR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(O)C#N
OpenEye OEToolkits 1.5.0CC(C)(C#N)O
ACDLabs 10.04N#CC(O)(C)C
FormulaC4 H7 N O
Name2-HYDROXY-2-METHYLPROPANENITRILE;
ACETONE CYANOHYDRIN
ChEMBLCHEMBL1231861
DrugBankDB02203
ZINCZINC000008217842
PDB chain7vb5 Chain C Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vb5 Structural characterization of Linum usitatissimum hydroxynitrile lyase: A new cyanohydrin decomposition mechanism involving a cyano-zinc complex.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		T65 H85 E323
Binding residue
(residue number reindexed from 1)		T51 H71 E309
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.2.46: aliphatic (R)-hydroxynitrile lyase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0051903 S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity
GO:0052919 aliphatic (R)-hydroxynitrile lyase activity
Biological Process
GO:0046294 formaldehyde catabolic process
Cellular Component
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:7vb5, PDBe:7vb5, PDBj:7vb5
PDBsum7vb5
PubMed35101448
UniProtP93243|AHNL_LINUS Aliphatic (R)-hydroxynitrile lyase

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