Structure of PDB 5wpu Chain A Binding Site BS01

Receptor Information
>5wpu Chain A (length=199) Species: 1535197 (Fischerella sp. ATCC 43239) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTWTSNN
GVGYVGPGTQFYNQLAPEGRNIGSIYLAQKPGSGVAGFEQILDATLEPDT
KYTLKVDVGNFGGEFQKISLAGFPGYRVELLAGDTVLAADHNNLYIKDGE
FKTSTVTFTATPDNPYLDQKLGIRLINLLQGTFSGLDFDNVRLTVEPAQ
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 chain5wpu Chain A Residue 301 [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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PDB5wpu Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Resolution1.39 Å
Binding residue
(original residue number in PDB)		N137 F138 L147 A148 G149 D175
Binding residue
(residue number reindexed from 1)		N110 F111 L120 A121 G122 D148
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5wpu, PDBe:5wpu, PDBj:5wpu
PDBsum5wpu
PubMed29531360
UniProtA0A076NBW8

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