Structure of PDB 6al8 Chain A Binding Site BS01

Receptor Information
>6al8 Chain A (length=197) Species: 1535197 (Fischerella sp. ATCC 43239) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTWTSNNG
VGYVGPGTQFYNQLAPEGRNIGFIYLAQKPGSGVAGFEQILDATLEPDTK
YTLKVDVGNSGGEFQKISLAGFPGYRVELLAGDTVLAADHNNLYIKDGEF
KTSTVTFTATPDNPYLDQKLGIRLINLLQGTFSGLDFDNVRLTVEPA
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 chain6al8 Chain A Residue 302 [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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PDB6al8 Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Resolution1.641 Å
Binding residue
(original residue number in PDB)		G37 E39 E95 N98 D216
Binding residue
(residue number reindexed from 1)		G9 E11 E67 N70 D188
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:6al8, PDBe:6al8, PDBj:6al8
PDBsum6al8
PubMed29531360
UniProtA0A076NBW8

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