Structure of PDB 6al6 Chain B Binding Site BS01

Receptor Information
>6al6 Chain B (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]
SVVSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTWTSN
NGVGYVGPGTQFYNQLAPEGRNIGYIYLAQKPGSGVAGFEQILDATLEPD
TKYTLKVDVGNFGGEFISLAGFPGYRVELLAGDTVLAADHNNLYIKDGEF
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 chain6al6 Chain B 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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PDB6al6 Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Resolution2.088 Å
Binding residue
(original residue number in PDB)		N137 F138 L147 A148 G149 D175
Binding residue
(residue number reindexed from 1)		N111 F112 L119 A120 G121 D147
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:6al6, PDBe:6al6, PDBj:6al6
PDBsum6al6
PubMed29531360
UniProtA0A076NBW8

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