Structure of PDB 6z8a Chain A Binding Site BS01

Receptor Information
>6z8a Chain A (length=677) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFALGNNLGSTDGYLATHSQIATKTSKPLLETSQTVSVITREQIDDTASK
TVQQAMRYTPGIFTGQVGASNRYDYVVMRGFADNSVDNIYLDGLKAMGDS
GTFSSMQVDPYFLERIDVLKGPSSVLYGRSLPGGLVALTSKKPLYEDYRQ
ITGSIGNMGQKEMGFDFSGPLDEEKRIAYRLIGLGKGSDTQFDHVKEERY
AIAPTLAIDFSDDTTLTLQGYLQHDPNGGYHGGVPADGTLSHHNGRHISR
EFFDGEPSKDDFDRTQRMFGYQLEHRIDDVWSARQNFRYLDSDVDLSQVY
AYGWSASEPNKLNRYFSGAREHLQAYIVDNMLQAEFATGAARHTLLTGLD
YQRRRTVVDWRSGSASALDAFNPVYGDDAISYFPDDNHTRRLEQTGVYLQ
DLIDIDQWRFSLGLRQDWVSVTDKNRSTGSKADDDWEKFTGRIGALYLFD
NGLAPYVSYSESFNPNAYSDASGTPLAPTEGKQWELGLKFQAPGSNSFYT
ASLFHITQENVASKEPQDNFYTSVGEVRSQGLELEAHTQLSDNLKLLGSY
TYTDITYTKSLDGNQGHTPNQAPKHMASLWADYAFDAGPLSGLSIGGGAR
YVGETWADKENTLRVPDYTLVDARIGYDLGKLGLKGLDVSLNANNLLDKD
YVASCYSLDFCYFGEKRNVTATVNYQF
Ligand information
Ligand ID6L0
InChIInChI=1S/C27H46N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h1,7,40-42H,2-6,8-21H2,(H,28,34)(H,29,35)(H,30,36)/b7-1+
InChIKeySHTNNSLDUIEFSM-LREOWRDNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385ON1CCCCCNC(=O)CCC(=O)N(O)CC=CCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O
CACTVS 3.385ON1CCCCCNC(=O)CCC(=O)N(O)C\C=C\CCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O
OpenEye OEToolkits 2.0.4C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC=CCCNC(=O)CCC(=O)N(CC1)O)O)O
OpenEye OEToolkits 2.0.4C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CCNC(=O)CCC(=O)N(CC1)O)O)O
ACDLabs 12.01C1CC(NCCCCCN(C(CCC(=O)NCCC=CCN(C(CCC(=O)NCCCCCN(C1=O)O)=O)O)=O)O)=O
FormulaC27 H46 N6 O9
Name(8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone
ChEMBL
DrugBank
ZINCZINC000584904849
PDB chain6z8a Chain A Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6z8a Nocardamine-Dependent Iron Uptake in Pseudomonas aeruginosa : Exclusive Involvement of the FoxA Outer Membrane Transporter.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		Y218 T245 F246 H374 G375 Y443 Y799 Y805
Binding residue
(residue number reindexed from 1)		Y75 T102 F103 H231 G232 Y300 Y656 Y662
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:0007166 cell surface receptor signaling pathway
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:0019867 outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6z8a, PDBe:6z8a, PDBj:6z8a
PDBsum6z8a
PubMed32902248
UniProtQ9I116

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