Structure of PDB 8dck Chain E Binding Site BS02

Receptor Information
>8dck Chain E (length=691) Species: 199310 (Escherichia coli CFT073) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYGLYALEILAQYHNVSVNPEEIKHRFDTDGTGLGLTSWLLAAKSLELKV
KQVKKTIDRLNFISLPALVWREDGRHFILTKVSKEANRYLIFDLEQRNPR
VLEQSEFEALYQGHIILIASRSSLAKFDFTWFIPAIIKYRKIFIETLVVS
VFLQLFALITPLFFQVVMDKVLVHRGFSTLNVITVALSVVVVFEIILSGL
RTYIFAHSTSRIDVELGAKLFRHLLALPISYFESRRVGDTVARVRELDQI
RNFLTGQALTSVLDLLFSFIFFAVMWYYSPKLTLVILFSLPCYAAWSVFI
SPILRRRLDDKFSRNADNQSFLVESVTAINTIKAMAVSPQMTNIWDKQLA
GYVAAGFKVTVLATIGQQGIQLIQKTVMIINLWLGAHLVISGDLSIGQLI
AFNMLAGQIVAPVIRLAQIWQDFQQVGISVTRLGDVLNSPTESYHGKLAL
PEINGNITFRNIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTL
TKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIID
NISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQR
QRIAIARALVNNPKILIFDQATSALDYESEHIIMRNMHKICKGRTVIIIA
HRLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLY
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8dck Chain E Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dck The hemolysin A secretion system is a multi-engine pump containing three ABC transporters.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		S509 Q550
Binding residue
(residue number reindexed from 1)		S498 Q539
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008233 peptidase activity
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0034040 ATPase-coupled lipid transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006508 proteolysis
GO:0006869 lipid transport
GO:0030253 protein secretion by the type I secretion system
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030256 type I protein secretion system complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8dck, PDBe:8dck, PDBj:8dck
PDBsum8dck
PubMed36055198
UniProtQ8FDZ8|HLYB_ECOL6 Alpha-hemolysin translocation ATP-binding protein HlyB (Gene Name=hlyB)

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