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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/BrH/h1H/p-1

InChIKey

CPELXLSAUQHCOX-UHFFFAOYSA-M

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Br-]

Formula

Name

BROMIDE ION

ChEMBL

DrugBank

ZINC

PDB chain

7roo Chain A Residue 708 [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)	T84 Y473
Binding residue (residue number reindexed from 1)	T78 Y451
Annotation score	3

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 BS01