Structure of PDB 6a9f Chain D Binding Site BS03

Receptor Information
>6a9f Chain D (length=200) Species: 70812 (Mastigocladus laminosus UTEX LB 1931) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVSIPIKNAGFEEPSLTVEDYYTIDTPPGWITYDPNGLVPAKRTRITSNN
GVGYTGPNSAYYNHKAPEGRNVAYVYLAQEIGSGIAGLEQTLDAVLKPNT
KYTLTVDIGNSGGSFQGFPLDGFPGYRVELLAGDTVLAADQNNLYIKEKD
FKTTTVTFIATPESPYLGQHLGIRLINPLQGKFSGVDFDNVRLTAEPAET
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 chain6a9f Chain D Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a9f The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G38 E40 E96 N99 D217
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:6a9f, PDBe:6a9f, PDBj:6a9f
PDBsum6a9f
PubMed30222239
UniProtA0A1P8VSL7

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