Structure of PDB 8boz Chain M Binding Site BS01

Receptor Information
>8boz Chain M (length=530) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPLQLPGLIIFVHGVNSEGEWYDYAERSLCAGLNQRLGLEGEHGLKENNY
EGGFFVKKWVSGPRKITKGGDGRSPVIRFYWGYRAADNETDTYAIPLKNK
KGDNYYDLPPESRKAKGPWFWGGGPFQNGCNQLVSLWSKTGFNNVPLPFS
TQVLNDRLLSDAPPRHYYAHAAGRLAKLIKTIRNQHPEDTVTVLSHSQGT
MIALAAAAIEAPDALFVMNSPYALENEPTTYISYPIKEIISRKARSATFA
DIVKKVAENKTWIPEGKTHNGLPERDNHGTTWIYCNPHDRVMGSSPLRSI
GWQGLPDTKDGTPHTLFKQAGDTLYVRILGRNTPCGGTPTAQTHFSNLGD
GKPFWDSTTTLLQRATWPDPDSGQTLTINAPQVPEPLTAEELKNFDQDYA
RDEKQSGGAGYAYGQINPETKKPVDTDYRYYISQEEMLEEVRTYVQRPTD
HSTLPSDERFMSRVVAYDLPIGYCWHSWDKAGLEELRRQADWLESDDYYF
SGKLTVPPIPPAIKQDVAEDAEQRKAEEKA
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 chain8boz Chain M Residue 701 [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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PDB8boz Activity and Crystal Structure of the Adherent-Invasive Escherichia coli Tle3/Tli3 T6SS Effector/Immunity Complex Determined Using an AlphaFold2 Predicted Model.
Resolution3.6 Å
Binding residue
(original residue number in PDB)
H376 R378 D444 D484 D573
Binding residue
(residue number reindexed from 1)
H288 R290 D356 D396 D450
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:8boz, PDBe:8boz, PDBj:8boz
PDBsum8boz
PubMed36675258
UniProtA0A0H2VAD3

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