Structure of PDB 5fok Chain A Binding Site BS02

Receptor Information
>5fok Chain A (length=656) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DETTYNVDRSASKKYTAPLLDTPKTVTVIPQQVIKDTGALTLADALRTTP
GITFGADRPFIRGFNAESDTFLDGMRDVASQTREVFNVEQIEVSKGPGSA
YTGAGSTGGSLNLISKTAKQDNFTDAGFTWGSDQTRRTTLDVNRMIGDNA
AFRLNLMKHDAHVAGRDEVSVSRWGVAPTVTFGFDTPTRATLSYYHLSTD
DMPDYGLPLTNVNRSKANPSKPASVDRDNFYGLKDRDYRKSTTDSGTFRI
EHDLNDNLTLSNSTRLVRTTLDYIVSNPDDSRGNVANGYVYRSAKSRNST
SKGWVNQTDLKANFETGFIKHTLVTGLEFSYEDVHNRPYAITSGGGAGNT
CNARLLASGDCTSLNRPTPGDNWTGSITDGLAYTDTDTKTSAAYVFDTLK
LSEQWELNLGLRYDDFDTKSSGYQTAGRNGPAGYFKRENNSHFWNYQTGL
VYKPAPNGSIYLAWSTSSNPRNRNLELGTKWAFFDDALSLNAALFRTDKT
NARLQVLDGEQRVQGVELGFNGKLTEKWKVFGGYTYLDSEIRKSTVKSDE
GNKMPQTAQNNFTLWTTYDLLQNFTIGGGTTYVDKQYGNTANSTYIPSYW
RYDAMASYKVSKNVDLQLNVQNLTDKRYFDQVYSTHMAHVAPGRTALLGV
NFHFSA
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain5fok Chain A Residue 1725 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fok Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D234 D235 Y272 K274
Binding residue
(residue number reindexed from 1)		D200 D201 Y238 K240
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015288 porin activity
GO:0015343 siderophore-iron transmembrane transporter activity
GO:0015344 siderophore uptake transmembrane transporter activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006826 iron ion transport
GO:0015891 siderophore transport
GO:0033214 siderophore-dependent iron import into cell
GO:0044718 siderophore transmembrane transport
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5fok, PDBe:5fok, PDBj:5fok
PDBsum5fok
PubMed28137795
UniProtG3XCY8|PIUA_PSEAE Probable TonB-dependent siderophore receptor PiuA (Gene Name=piuA)

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