Structure of PDB 5wpp Chain B Binding Site BS01

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 301 [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)		G37 E39 E95 N98 D216
Binding residue
(residue number reindexed from 1)		G10 E12 E68 N71 D189
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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