Structure of PDB 5yvp Chain B Binding Site BS01

Receptor Information
>5yvp Chain B (length=199) Species: 1930928 (Fischerella sp. TAU) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVVSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTWTSN
NGVGYVGPGTQFYNQLAPEGRNIGYIYLAQKPGSGVAGFEQILDATLEPD
TNYTLKVDVGNLAGTFKGLSFAGFPGYRVELLAGDTVLAADHNNLFIKEG
EFKTSTVTYTSTAKDLHLGQKLGIRLVNLLQDKFSGLDFDNVRLTAEPT
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 chain5yvp 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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PDB5yvp The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Resolution2.051 Å
Binding residue
(original residue number in PDB)		G37 E39 E95 N98 D216
Binding residue
(residue number reindexed from 1)		G11 E13 E69 N72 D190
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:5yvp, PDBe:5yvp, PDBj:5yvp
PDBsum5yvp
PubMed30222239
UniProtA0A1P8VSI6

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