Structure of PDB 5wpp Chain A Binding Site BS02

Receptor Information
>5wpp 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]
SVVSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTMTSN
NGVGYVGPGTQFYNQLAPEGRNIGYIYLAQKPGSGVAGFEQILDATLEPD
TKYTLMVDVGNFGGEFQKISLAGFPGYRVELLAGDTVLAADHNNLYIKDG
EFKTSTVTFTATPDNPYLDQKLGIRLINLLQGTFSGLDFDNVRLTVEPA
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 chain5wpp Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wpp Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		N137 F138 L147 A148 G149 D175
Binding residue
(residue number reindexed from 1)		N111 F112 L121 A122 G123 D149
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:5wpp, PDBe:5wpp, PDBj:5wpp
PDBsum5wpp
PubMed29531360
UniProtA0A076NBW8

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