Structure of PDB 6a98 Chain D Binding Site BS02

Receptor Information
>6a98 Chain D (length=199) Species: 56108 (Fischerella ambigua) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAVSIPIKNAGFEEPSLTVEYTIDTPPGWITYDPNGLVPAKRTRITSNNG
VGYTGPNSAYYNHKAPEGRNVAYVYLAQEIGSGIAGLEQTLDAVLKPNTK
YTLTVDIGNSGGSFQGFPLDGFPGYRVELLAGDTVLAADQNNLYIKEKDF
KTTTVTFIATPESPYLGQHLGIRLINPLQGKFSGVDFDNVRLTAEPAET
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 chain6a98 Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a98 The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Resolution1.82 Å
Binding residue
(original residue number in PDB)		G38 E40 E96 N99 D217
Binding residue
(residue number reindexed from 1)		G11 E13 E67 N70 D188
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:6a98, PDBe:6a98, PDBj:6a98
PDBsum6a98
PubMed30222239
UniProtA0A1P8VSL7

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