Structure of PDB 7ron Chain A Binding Site BS01

Receptor Information
>7ron Chain A (length=633) Species: 379530 (Cylindrospermum licheniforme UTEX B 2014) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTKSLLSADEKITESLRSTLSDVLPDQLQTYIRTVLQFSEGANLLTGPNT
EIEFFSQDPNKNFPNIFAKYSNVLTVSSDPNFITSEDEEVKIIWGRHGSD
SLIGFDPGADLVGKRRIDIFLGDFIDEQFNPIPGALNAGKSWSDRFILGD
WQKPYYFEDDETLGLNQSAMILDFNPNEDVIQLHGDRQDYELVNISLGTA
IFWREKKGYDLIGVLGGVSDLSLKGDYFEFKGNTAPKTVLKTAEHIGTAA
NDYIFSSTVDAKGNFYVGGGTGGSLGGRNIGARDAWLAKYDSNGNQRWSR
QFGSTGTESLWGMASDGSNIYVAGNTTGQLENNTVKGGNDAYLAKYDSDG
NQVWIKQNGTYTLEESYKITVDSSGNIYTAGHTSTDGYVAKFDSNGNQLW
VAQFGTITLDDNWGVAADNNGNVFAGGNTKGSFGAKNTGTAGEYDAWLVK
LNKDGQTDWVRQFGTPNYDFMWDIETDSLGDIYATGWTLGDLGGKNAGSY
DVWLAKYNTNGNQLWIKQFGTSEDDAPFLDGIDIDANDNIFLTGNTNGNL
GGANAGSYDAWAAKFDKDGNQLWLKQFGTPDYDTATTVTAVNFGKLYVSG
ITEGSLGTTNAGSYDSWALKLDADNGEIQDFNS
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 chain7ron Chain A Residue 810 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ron Structural basis for an unprecedented enzymatic alkylation in cylindrocyclophane biosynthesis.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		T84 S86 D88 G104 R105 H106 D109
Binding residue
(residue number reindexed from 1)		T75 S77 D79 G95 R96 H97 D100
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:7ron, PDBe:7ron, PDBj:7ron
PDBsum7ron
PubMed35212625
UniProtA0A1Y0K711

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