Structure of PDB 5oc0 Chain A Binding Site BS04

Receptor Information
>5oc0 Chain A (length=174) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENKYSRLQISIHWLVFLLVIAAYCAMEFRGFFPRSDRPLINMIHVSCGIS
ILVLMVVRLLLRLKYPTPPIIPKPKPMMTGLAHLGHLVIYLLFIALPVIG
LVMMYNRGNPWFAFGLTMPYASEANFERVDSLKSWHETLANLGYFVIGLH
AAAALAHHYFWKDNTLLRMMPRKR
Ligand information
Ligand ID37X
InChIInChI=1S/C27H52O12/c1-3-5-7-9-11-27(12-10-8-6-4-2,15-36-25-23(34)21(32)19(30)17(13-28)38-25)16-37-26-24(35)22(33)20(31)18(14-29)39-26/h17-26,28-35H,3-16H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m0/s1
InChIKeyTYXCLOLHZMMLEK-RNDJEAJNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCC(CCCCCC)(COC1C(C(C(C(O1)CO)O)O)O)COC2C(C(C(C(O2)CO)O)O)O
ACDLabs 12.01O(CC(CCCCCC)(CCCCCC)COC1OC(CO)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
OpenEye OEToolkits 1.9.2CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
CACTVS 3.385CCCCCCC(CCCCCC)(CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
CACTVS 3.385CCCCCCC(CCCCCC)(CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O
FormulaC27 H52 O12
NameOctyl Glucose Neopentyl Glycol
ChEMBL
DrugBank
ZINCZINC000098208404
PDB chain5oc0 Chain A Residue 205 [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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PDB5oc0 Scavenging of superoxide by a membrane-bound superoxide oxidase.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		F32 P34 D37
Binding residue
(residue number reindexed from 1)		F31 P33 D36
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.17: superoxide oxidase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0019430 removal of superoxide radicals
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5oc0, PDBe:5oc0, PDBj:5oc0
PDBsum5oc0
PubMed29915379
UniProtP0ABE5|C561_ECOLI Superoxide oxidase CybB (Gene Name=cybB)

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