Structure of PDB 5wqf Chain A Binding Site BS01

Receptor Information
>5wqf Chain A (length=138) Species: 341663 (Aspergillus terreus NIH2624) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTREDLVATAKLFIAKYNEFTPESIISVRTPNSVSHRLFPTRNATRNIGE
SMEACANAKEVFKSLTVSVIDDNDTIVDERTRKVVFYLASRGDTIVGEWK
SECIFIFQMSEDGKLVDRIWAGFDTAYMDEFESRLDGI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5wqf Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wqf Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Resolution2.001 Å
Binding residue
(original residue number in PDB)		N59 E62
Binding residue
(residue number reindexed from 1)		N57 E60
Annotation score4
Enzymatic activity
Enzyme Commision number 5.-.-.-
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
Biological Process
GO:0016114 terpenoid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5wqf, PDBe:5wqf, PDBj:5wqf
PDBsum5wqf
PubMed28759016
UniProtQ0C8A2|TRT14_ASPTN Isomerase trt14 (Gene Name=trt14)

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