Structure of PDB 5wpp Chain B Binding Site BS03

Receptor Information
>5wpp Chain B (length=198) Species: 1535197 (Fischerella sp. ATCC 43239) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTMTSNN
GVGYVGPGTQFYNQLAPEGRNIGYIYLAQKPGSGVAGFEQILDATLEPDT
KYTLMVDVGNFGGEFQKISLAGFPGYRVELLAGDTVLAADHNNLYIKDGE
FKTSTVTFTATPDNPYLDQKLGIRLINLLQGTFSGLDFDNVRLTVEPA
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 B Residue 305 [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)		D48 Y49
Binding residue
(residue number reindexed from 1)		D21 Y22
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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