Structure of PDB 1fcp Chain A Binding Site BS03

Receptor Information
>1fcp Chain A (length=705) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESAWGPAATIAARQSATGTKTDTPIQKVPQSISVVTAEEMALHQPKSVKE
ALSYTPGVSVGTRGASNTYDHLIIRGFAAEGQSQNNYLNGLKLQGNFYND
AVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKA
GTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPA
FTWRPDDKTNFTFLSYFQNEPETGYYGWLPKEGTVEPLPNGKRLPTDFNE
GAKNNTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVC
SDPANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATG
DIDHTLLTGVDFMRMRNDINAWFGYDDSVPLLNLYNPSHHHHHHGSVNTD
FDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWDKVLVTLGGRYDWADQE
SLNRVAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVGKD
GNIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPEGSFFS
VEGGEIRARGVEIEAKAALSASVNVVGSYTYTDAEYTTDTTYKGNTPAQV
PKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPANSFKVGSYTVVD
ALVRYDLARVGMAGSNVALHVNNLFDREYVASCFNTYGCFWGAERQVVAT
ATFRF
Ligand information
Ligand IDLIL
InChIInChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27(29)30)32-28(31)24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m0/s1
InChIKeyWLKQLKMXKFGMQI-SANMLTNESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCCCCCCCC
ACDLabs 10.04O=C(O)CC(OC(=O)CCCCCCCCCCCC)CCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC
FormulaC28 H54 O4
Name2-TRIDECANOYLOXY-PENTADECANOIC ACID
ChEMBL
DrugBankDB01814
ZINCZINC000014880077
PDB chain1fcp Chain A Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fcp Siderophore-mediated iron transport: crystal structure of FhuA with bound lipopolysaccharide.
Resolution2.7 Å
Binding residue
(original residue number in PDB)
F231 F235 V282 F302
Binding residue
(residue number reindexed from 1)
F213 F217 V264 F284
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015343 siderophore-iron transmembrane transporter activity
GO:0038023 signaling receptor activity
Biological Process
GO:0015891 siderophore transport
Cellular Component
GO:0009279 cell outer membrane

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:1fcp, PDBe:1fcp, PDBj:1fcp
PDBsum1fcp
PubMed9856937
UniProtP06971|FHUA_ECOLI Ferrichrome outer membrane transporter/phage receptor (Gene Name=fhuA)

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