Structure of PDB 5fp1 Chain A Binding Site BS03

Receptor Information
>5fp1 Chain A (length=701) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQEESLKVDQSANSKFVAPLLDTPKSVSVISKQLIEDTKVTTLADALRTV
PGITLGAGEGGNPNGDRPFIRGYSSESSMYIDGIRNSTSQNREMFAVEQV
EVTKGSASAMGGAGSVGGSINMISKVAKKGDFLEGSVAAGTDNYQRITLD
GNKDFGNGIAARVAVLGHQNEKAGQSNGAEYKRVGIAPSITFGLDTPTRA
TLSYYYLQTDDKPDSGIPYWDSSLGKAQGKPAEVKQGTYYGWKDRDFQKQ
ENHIGTIKLEHDLTDNITITNTAMYAKSKNDYVWTNPDDSKGNVGKGLVW
HRLNSAITDSETFTDQLALTGKFDTGFLKHRFNVGAEYSKQKTDKGGYNI
IDAKGNVSSTGFYSDCSDLSTNWCTSLNGPTQKPFVDRLQARPDFDATVE
STSVYLLDNIEITPKWLLDLGLRWDKFEAEQNFLATSSAAAYTAKNNSDF
VTYQAGITFKPTENGSIYTSYATSASPVGLNAGWGDNSETINANNQMIDP
EEAQTFEIGTKWDFLDNHLNLTAAIFRTEKQNTRVQIDPTTYANVGESKV
DGFELGLNGEITDKWNISAGYTYLDSELTKNGKSCRSGKCTDQSIYNGNQ
MPNVPKQAATLWTTYKVLPQLTVGAGAVYSDKVYGDVANTKWVPSYVRYD
AMARYNVNKNVDLQLNINNLSDKRYFTKAYASHYATEAEGRSAVLAVNFK
Y
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 chain5fp1 Chain A Residue 1721 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fp1 Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		F409 D410 N446 L448
Binding residue
(residue number reindexed from 1)		F395 D396 N432 L434
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:5fp1, PDBe:5fp1, PDBj:5fp1
PDBsum5fp1
PubMed28137795
UniProtD0CAH3|PIUA_ACIB2 Probable TonB-dependent siderophore receptor PiuA (Gene Name=piuA)

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