Structure of PDB 4z12 Chain B Binding Site BS03

Receptor Information
>4z12 Chain B (length=503) Species: 13449 (Coreopsis grandiflora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LAPITAPDITSICKDASSGIGNQEGAIRTRKCCPPSLGKKIKDFQFPNDK
KVRMRWPAHKGTKKQVDDYRRAIAAMRALPDDDPRSFVSQAKIHCAYCNG
GYTQVDSGFPDIDIQIHNSWLFFPFHRWYLYFYERILGSLIDEPNFALPY
WKWDEPKGMPISNIFLGDASNPLYDQYRDANHIEDRIVDLDYDGKDKDIP
DQQQVACNLSTVYRDLVRNGVDPTSFFGGKYVAGDPSVGSVEAGSHTAVH
RWVGDPTQPNNEDMGNFYSAGYDPVFYIHHANVDRMWKLWKELRLPGHVD
ITDPDWLNASYVFYDENKDLVRVYNKDCVNLDKLKYNFIENSKEVFPWRN
SRPPQRRKSAQVADVKTVEQTKFPVRLNQIFKVRVKRPAVNRTEEEKDQA
NEVLLIKKIKYDSGKFVKFDVFVNDKLKDGVFTTPCDPEYAGGFAQIPHN
DVMTSTARFGLNELLEDTNTEGEEYATVTLVPRTGCEDLTVGEIKIELVP
IPK
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain4z12 Chain B Residue 602 [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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PDB4z12 Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H255 H259 H289
Binding residue
(residue number reindexed from 1)		H246 H250 H280
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H96 H119 H128 H255 H259 F276 H289
Catalytic site (residue number reindexed from 1) H94 H117 H126 H246 H250 F267 H280
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004097 catechol oxidase activity
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4z12, PDBe:4z12, PDBj:4z12
PDBsum4z12
PubMed26976571
UniProtA0A075DN54

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