Structure of PDB 1fi1 Chain A Binding Site BS01

Receptor Information
>1fi1 Chain A (length=707) 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
DIDHTLLTGVDFMRMRNDINAWFGYDDSVPLLNLYNPSSHHHHHHGSSVN
TDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWDKVLVTLGGRYDWAD
QESLNRVAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVG
KDGNIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPEGSF
FSVEGGEIRARGVEIEAKAALSASVNVVGSYTYTDAEYTTDTTYKGNTPA
QVPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPANSFKVGSYTV
VDALVRYDLARVGMAGSNVALHVNNLFDREYVASCFNTYGCFWGAERQVV
ATATFRF
Ligand information
Ligand IDGMH
InChIInChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5-,6+,7-/m0/s1
InChIKeyBGWQRWREUZVRGI-QQABCQGCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C(C1C(C(C(C(O1)O)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O
FormulaC7 H14 O7
NameL-glycero-alpha-D-manno-heptopyranose;
L-glycero-alpha-D-manno-heptose;
L-glycero-D-manno-heptose;
L-glycero-manno-heptose;
L-GLYCERO-D-MANNO-HEPTOPYRANOSE
ChEMBL
DrugBankDB04526
ZINC
PDB chain1fi1 Chain B Residue 10 [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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PDB1fi1 Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		N388 R435
Binding residue
(residue number reindexed from 1)		N370 R417
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:1fi1, PDBe:1fi1, PDBj:1fi1
PDBsum1fi1
PubMed11587645
UniProtP06971|FHUA_ECOLI Ferrichrome outer membrane transporter/phage receptor (Gene Name=fhuA)

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