Structure of PDB 6a99 Chain C Binding Site BS02

Receptor Information
>6a99 Chain C (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]
SAVSIPIKNAGFEEPSLTVEDYYTIDTPPGWITYDPNGLVPAKRTRITSN
NGVGYTGPNSAYYNHKAPEGRNVAYVYLAQEIGSGIAGLEQTLDAVLKPN
TKYTLTVDIGNSGGSFQGFPLDGFPGYRVELLAGDTVLAADQNNLYIKEK
DFKTTTVTFIATPESPYLGQHLGIRLINPLQGKFSGVDFDNVRLTAEPAE
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 chain6a99 Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a99 The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Resolution2.29 Å
Binding residue
(original residue number in PDB)		N138 S139 L148 G150 E176
Binding residue
(residue number reindexed from 1)		N111 S112 L121 G123 E149
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:6a99, PDBe:6a99, PDBj:6a99
PDBsum6a99
PubMed30222239
UniProtA0A1P8VSL7

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