Structure of PDB 5fr8 Chain A Binding Site BS01

Receptor Information
>5fr8 Chain A (length=707) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IFVTAEEQVKQSLGVSVITKEDLEKLPVRNDISDYVRRMPGVNLTGNSAT
GQRGNNRQIDIRGMGPENTLILVDGKPINSRNSVRYGWKGERDTRGDSNW
VPAEAIESIEVLRGPAAARYGSGAAGGVVNIITKKVTNETHGSVEFYTSQ
PEDSKEGSSNRVGFNVSGPLIKDVLSYRLYGNYNKTEADDVDINKSIGST
AAGREGVKNKDISGRLAWQATDQQTVLLDISSSKQGNIYSGDSQLNANAE
ADAILSQLIGKETNTMYRDSYALTHEGDWSWGKSKLVAQYDKTHNKRLPE
GLAGSVEGKINNLDDKATSRLETLRFNGEANIPFEYYLPQVLTVGTEWVE
DRFKDNVSTTQGKDSSGSGYGDQLAKGDRSKMESRIASAYIEDNLKVTDS
TDVVLGLRFDDHSKSGSNWSPSLNITQKLNDYFTLKGGVAKAYKAPNMYQ
NAEGYLLSTNGNGCPANIESRCLLQGNGDLKPETSVNKELGIQFQKDIVN
ASLTWFRNDYKDKIVAGTHVVGTVDGSSTNANTGAVTNTKWNILRWENTP
KALIQGFEGSLGLDFGDIRWTNNFTYMMDSKDKQTGNPLSLVPIYTINSI
FDYDITDQLDVNFVFTQYGRQKSRQFAENRLESGIGSGGANSALKPSTVK
SYSTAGINVGYKFSDQISTRVGVSNLFDKQILRDSNSISQTYNEPGRAYY
ASLKYSF
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 chain5fr8 Chain A Residue 1731 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5fr8 Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Resolution2.83 Å
Binding residue
(original residue number in PDB)		L584 N595 F597
Binding residue
(residue number reindexed from 1)		L561 N572 F574
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
Cellular Component
GO:0009279 cell outer membrane
GO:0046930 pore complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5fr8, PDBe:5fr8, PDBj:5fr8
PDBsum5fr8
PubMed28137795
UniProtD0C8V9|PIRA_ACIB2 Probable TonB-dependent siderophore receptor PirA (Gene Name=pirA)

[Back to BioLiP]