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Receptor Information

>7roo Chain A (length=645) Species: 379530 (Cylindrospermum licheniforme UTEX B 2014) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTKSLLSADEKITESLRSTLSDVLPDQLQTYIRTVLQFSGRPEGANLLTG
PNTEIEFFSQDPNKNFPNIFAKYSNVLTVSSDPNFITSEDEEVKIIWGRH
GSDSLIGFDPGADLVGKRRIDIFLGDFIDEQFNPIPGALNAGKSWSDRFI
LGDWQKPYYFEDDETLGLNQSAMILDFNPNEDVIQLHGDRQDYELVNISL
GTAIFWREKKGYDLIGVLGGVSDLSLKGDYFEFKGNTAPKTVLKTAEHIG
TAANDYIFSSTVDAKGNFYVGGGTGGSLGGRNIGARDAWLAKYDSNGNQR
WSRQFGSTGTESLWGMASDGSNIYVAGNTTGQLENNTVKGGNDAYLAKYD
SDGNQVWIKQNGTYTLEESYKITVDSSGNIYTAGHTFELPSTDGYVAKFD
SNGNQLWVAQFGTITLDDNWGVAADNNGNVFAGGNTKGSFGAKNTGTAGE
YDAWLVKLNKDGQTDWVRQFGTPNYDFMWDIETDSLGDIYATGWTLGDLG
GKNAGSYDVWLAKYNTNGNQLWIKQFGTSEDDAPFLDGIDIDANDNIFLT
GNTNGNLGGANAGSYDAWAAKFDKDGNQLWLKQFGTPDYDTATTVTAVNF
GKLYVSGITEGSLGTTNAGSYDSWALKLDADNGEIQDFNSSTNTF

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

7roo Chain A Residue 714 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7roo Structural basis for an unprecedented enzymatic alkylation in cylindrocyclophane biosynthesis.
Resolution	1.52 Å
Binding residue (original residue number in PDB)	D132 W151 D153 D188
Binding residue (residue number reindexed from 1)	D126 W145 D147 D182
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:7roo, PDBe:7roo, PDBj:7roo
PDBsum	7roo
PubMed	35212625
UniProt	A0A1Y0K711

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Structure of PDB 7roo Chain A Binding Site BS05