Structure of PDB 7fh7 Chain A Binding Site BS08

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 1011 [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)		T257 A259 D261 G641 Y643 D644
Binding residue
(residue number reindexed from 1)		T248 A250 D252 G632 Y634 D635
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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