Structure of PDB 7vb3 Chain A Binding Site BS03

Receptor Information
>7vb3 Chain A (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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7vb3 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vb3 Structural characterization of Linum usitatissimum hydroxynitrile lyase: A new cyanohydrin decomposition mechanism involving a cyano-zinc complex.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		C63 H85 C199
Binding residue
(residue number reindexed from 1)		C49 H71 C185
Annotation score1
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:7vb3, PDBe:7vb3, PDBj:7vb3
PDBsum7vb3
PubMed35101448
UniProtP93243|AHNL_LINUS Aliphatic (R)-hydroxynitrile lyase

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