Structure of PDB 5d79 Chain A Binding Site BS01

Receptor Information
>5d79 Chain A (length=498) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HEDFLKCLSYTVEPKVIHTSKDSSFFSILDSSIQNPRFSVSETPKPVSII
TPVKASDVQTVIRCAQLHGIHVRTRSAGHCYEGLSYIAYNKPFAVIDLRN
LRSISLDVDNRTGWVQTGATAGELYYEIGKTTKSLAFPAGIHPTVGVGGQ
FSGGGYGTLLRKYGLAADNIIDALVVDASGRILDRQAMGEDYFWAIRGGG
GSSFGVILSWKVKLVDVPSTITVFKVQKTSKKEAVRIIKKWQYAADKVPD
DLFIRTTLERSNKNAVHALFTGLYIGPVNNLLALMEEKFPELGLEKEGCE
EMSWIESVLWFADFPKGESLGVLTNRERTSLSFKGKDDFVQEPIPEAAIQ
EIWRRLEAPEARLGKIILTPFGGKMSEMAEYETPFPHRGGNLYEIQYVAY
WREEEDKNKTETDKYLKWVDSVYEFMTPYVSKSPRGAYVNFKDMDLGMYL
GKKKTKYEEGKSWGVKYFKNNFERLVRVKTRVDPTDFFCDEQSIPLVN
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain5d79 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5d79 Structure of a Berberine Bridge Enzyme-Like Enzyme with an Active Site Specific to the Plant Family Brassicaceae.
Resolution1.849 Å
Binding residue
(original residue number in PDB)		G172 H174
Binding residue
(residue number reindexed from 1)		G140 H142
Annotation score3
Enzymatic activity
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:5d79, PDBe:5d79, PDBj:5d79
PDBsum5d79
PubMed27276217
UniProtQ9FI21|BBE28_ARATH Berberine bridge enzyme-like 28 (Gene Name=At5g44440)

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