Structure of PDB 5yy2 Chain A Binding Site BS01

Receptor Information
>5yy2 Chain A (length=569) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVSSDVRGIFALPVQKDHKPYNGLSPEHLETMKAVSLMLDAAGPKLEDGI
SKAKELLEERINPELMRDALGIYLTHSKDAQQRKIFPPPLKNHPFFSTNV
AGEICTADTLHGHALLSYWRDDYDLNDSHYYWHMVYDRHGEVFLYVHSQM
VARYETESLCWSLPLVRPWNQYDDFLENGYAPISSLIEHYGGYPPFSTWY
SIRNPDMPDTLNVTIPRARLEEWRDNIYAAIRKGQFETTSKDKPLVLTRD
NCLNFVGGILDAQYPSLNKLLGGCSLDEERYGNLHNYGLGKFAEMAYRNG
LTISNFGAPRDPCFWRWYKHLQYYGRLAATRYPQDITAHRAEVVLSNLVV
RLQDRSSPHYLDGHITTFLGPPAVNFMESKAKLGHEPYEWNVQVKSCRRS
PPSKENPQTLTLRLFIAAEDLMNDYHSWIEMDRATVQLTDESAITKVRLD
TDSSVARKMGNYGEPDPRYASAVFRHGWPQNLMLPVGKVEGMPFVAFCIA
TDDGIPPAPAPPFHHYHDPRGMGYPFNRAWTQLTEDSTGKASIRTIISNA
ELYPFITSTTFKIYRTTKF
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 chain5yy2 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yy2 Enzymatic one-step ring contraction for quinolone biosynthesis.
Resolution2.91 Å
Binding residue
(original residue number in PDB)		H176 H180 H208
Binding residue
(residue number reindexed from 1)		H129 H133 H147
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.99.27: cyclopenase.
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5yy2, PDBe:5yy2, PDBj:5yy2
PDBsum5yy2
PubMed30026518
UniProtC8VJQ3|ASQI_EMENI Cyclopenase asqI (Gene Name=asqI)

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