Structure of PDB 5b57 Chain A Binding Site BS01

Receptor Information
>5b57 Chain A (length=330) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSRRFAPFVLAALAILMGAMSVVALCVGAYRIPLAEAWAALSGDPAAQQA
RAVLLDIRAPRVVLALLVGGGFGATGAAMQALFRNPLADPGLVGVSSGAA
LGATTLIVLGPASAAALPVAAFAGGLAVAALVYRLAASRGRLALPLLLLA
GIAINALVGAAIGLLTFVADDAQLRSLTFWSLGSLGGAQWPTLAAVAPCV
ALGGVLLVRERDALNALQLGETEALHLGVPVQRLKRRVLVAVALAVGALV
SCAGIIGFIGLVAPHCVRLACGPDQRIVLPGAALLGALLTLAADLAARTV
AAPADIPLGVLTALLGAPFFLALLWKNRGA
Ligand information
Ligand IDDMU
InChIInChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyWOQQAWHSKSSAGF-WXFJLFHKSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
ACDLabs 12.01O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
CACTVS 3.370CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
FormulaC22 H42 O11
NameDECYL-BETA-D-MALTOPYRANOSIDE;
DECYLMALTOSIDE
ChEMBL
DrugBank
ZINCZINC000085482724
PDB chain5b57 Chain A Residue 401 [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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PDB5b57 Crystal structure of bacterial haem importer complex in the inward-facing conformation
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D79 L90 W219 A223 A226
Binding residue
(residue number reindexed from 1)		D56 L67 W190 A194 A197
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022857 transmembrane transporter activity
Biological Process
GO:0033214 siderophore-dependent iron import into cell
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5b57, PDBe:5b57, PDBj:5b57
PDBsum5b57
PubMed27830695
UniProtB4EKB4

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