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Receptor Information

>8boz Chain I (length=543) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VQPPLQLPGLIIFVHGVNSEGEWYDYAERSLCAGLNQRLGLEGEHGLKEN
NYEGGFFVKKWVSGPRKITKGGDGRSPVIRFYWGYRAADNETDTYAIPLK
NKKGDNYYDLPPESRKAKGPWFWGGGPFQNGCNQLVSLWSKTGFNNLGVP
LPFSTQVLNDRLLSDAPPRHYYAHAAGRLAKLIKTIRNQHPEDTVTVLSH
SQGTMIALAAAAIEAPDALFVMNSPYALENEPTTYISYPIKEIISRKARS
ATFADIVKKVAENKTSWIPEGKTHNGLPERDNHGTTWIYCNPHDRVMGSS
PLRSIGWQGLPDTKDGTPHTLFKQAGDTLYVRILGRNTPCGGTPTAQTHF
SNLGDGKPFWDSTTTLLQRATWPDPDSGQTLTINAPQVPEPLTAEELKNF
DQDYARDEKQSGGAGYAYGQINPETKKPVDTDYRYYISYEKQSQEEMLEE
VRTYVQRPTDHSTLPSDERFMSRVVAYDLPIGYCWHSWDKAGLEELRRQA
DWLESDDYYFSGKLTVPPIPPAIKQDVAEDAEQRKAEEKARLR

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

8boz Chain I Residue 701 [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	8boz Activity and Crystal Structure of the Adherent-Invasive Escherichia coli Tle3/Tli3 T6SS Effector/Immunity Complex Determined Using an AlphaFold2 Predicted Model.
Resolution	3.6 Å
Binding residue (original residue number in PDB)	D444 D484 Q485 D573
Binding residue (residue number reindexed from 1)	D361 D401 Q402 D460
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:8boz, PDBe:8boz, PDBj:8boz
PDBsum	8boz
PubMed	36675258
UniProt	A0A0H2VAD3

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Structure of PDB 8boz Chain I Binding Site BS01