Structure of PDB 7fh7 Chain A Binding Site BS15

Receptor Information
>7fh7 Chain A (length=653) Species: 379530 (Cylindrospermum licheniforme UTEX B 2014) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLLSADEKITESLRSTLSDVLPDQLQTFIRTVLQFSGRPEGANLLTGPNT
EIEFFSQDPNKNFPNIFAKYSNVLTVSSDPNFITSEDEEVKIIWGRHGSD
SLIGFDPGADLVGKRRIDIFLGDFIDEQFNPIPGALNAGKSWSDRFILGD
WQKPYYFEDDETLGLNQSAMILDFNPNEDVIQLHGDRQDYELVNISLGTA
IFWREKKGYDLIGVLGGVSDLSLKGDYFEFKGNTAPKTVLKTAEHIGTAA
NDYIFSSTVDAKGNFYVGGGTGGSLGGRNIGARDAWLAKYDSNGNQRWSR
QFGSTGTESLWGMASDGSNIYVAGNTTGQLENNTVKGGNDAYLAKYDSDG
NQVWIKQNGTYTLEESYKITVDSSGNIYTAGHTFGSLGGPNQNLEQGEVF
ELPSTDGYVAKFDSNGNQLWVAQFGTITLDDNWGVAADNNGNVFAGGNTK
GSFGAKNTGTAGEYDAWLVKLNKDGQTDWVRQFGTPNYDFMWDIETDSLG
DIYATGWTLGDLGGKNAGSYDVWLAKYNTNGNQLWIKQFGTSEDDAPFLD
GIDIDANDNIFLTGNTNGNLGGANAGSYDAWAAKFDKDGNQLWLKQFGTP
DYDTATTVTAVNFGKLYVSGITEGSLGTTNAGSYDSWALKLDADNGEIQD
FNS
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 chain7fh7 Chain A Residue 1018 [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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PDB7fh7 Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
Resolution1.42 Å
Binding residue
(original residue number in PDB)		D502 D559 I561
Binding residue
(residue number reindexed from 1)		D493 D550 I552
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:7fh7, PDBe:7fh7, PDBj:7fh7
PDBsum7fh7
PubMed
UniProtA0A1Y0K711

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