Structure of PDB 6bpn Chain A Binding Site BS01

Receptor Information
>6bpn Chain A (length=656) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPSLYAPQQSADPKFSRPVADTTRTMTVISEQVIKDQGATNLTDALKNVP
GVGAFFADAIYMRGADTSNSIYIDGIRDIGSVSRDTFNTEQVEVIKGPSG
TDYGRSAPTGSINMISKQPRNDSGIDASASIGSAWFRRGTLDVNQVIGDT
TAVRLNVMGEKTHDAGRDKVKNERYGVAPSVAFGLGTANRLYLNYLHVTQ
HNTPDGGIPTIGLPGYSAPSAGTAALNHSGKVDTHNFYGTDSDYDDSTTD
TATMRFEHDINDNTTIRNTTRWSRVKQDYLMTAIMGGASNITQPTSDVNS
WTWSRTANTKDVSNKILTNQTNLTSTFYTGSIGHDVSTGVEFTRETQTNY
GVNPVTLPAVNIYHPDSSIHPGGLTRNGANANGQTDTFAIYAFDTLQITR
DFELNGGIRLDNYHTEYDSATACGGSGRGAITCPTGVAKGSPVTTVDTAK
SGNLMNWKAGALYHLTENGNVYINYAVSQQPPPQKANTSEIGTKWQVLDK
RLLLTAALFRTDIENEYGKKRVEGYEISVAGNITPAWQVIGGYTQQKATI
KPYTPEHAFTLWSQYQATDDISVGAGARYIGSMHKGSDGAVGTPAFTEGY
WVADAKLGYRVNRNLDFQLNVYNLFDTDYVASINKSGYRYHPGEPRTFLL
TANMHF
Ligand information
Ligand IDPOG
InChIInChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1
InChIKeyOWRNLGZKEZSHGO-QAWAPDBNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O
CACTVS 3.341C[C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
OpenEye OEToolkits 1.5.0CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
ACDLabs 10.04O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C
CACTVS 3.341C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
FormulaC21 H44 O8
Name(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL;
POLYPROPYLENE GLYCOL;
HEPTAPROPYLENE GLYCOL
ChEMBL
DrugBank
ZINC
PDB chain6bpn Chain A Residue 805 [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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PDB6bpn The structure of the bacterial iron-catecholate transporter Fiu suggests that it imports substrates via a two-step mechanism.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R212 L213 P237 S238 L251 Y253 A310 T328
Binding residue
(residue number reindexed from 1)		R154 L155 P179 S180 L193 Y195 A252 T270
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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:0006879 intracellular iron ion homeostasis
GO:0015891 siderophore transport
GO:0033214 siderophore-dependent iron import into cell
GO:0042884 microcin transport
GO:0044718 siderophore transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:1902495 transmembrane transporter complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6bpn, PDBe:6bpn, PDBj:6bpn
PDBsum6bpn
PubMed31712312
UniProtP75780|FIU_ECOLI Catecholate siderophore receptor Fiu (Gene Name=fiu)

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