Structure of PDB 5jaw Chain F Binding Site BS01

Receptor Information
>5jaw Chain F (length=525) Species: 498211 (Cellvibrio japonicus Ueda107) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APLPELLSNNGKHALMVDGAPYIILGSQTNNSSNYPDALKDVWPSMEKMG
ANTLSIPVAWEQIEPVEGQFDFSFVDVLLKEARQRKVRLVLLWFATWKNN
APHYAPAWVKLDNARFPRVVKEDGDTLNSLSPLGQNTLAADKKAFVELMK
YLAKRDKDHTVIMVQVQNEVGTYGAVRDYSPMAQAVFNAAVPDDLIQKLQ
LKPGTWSQVFGRDADEFFHAYQIARYCDEVTVAGKAIKNLPMYVNVALRN
PFNPGLPGQYSSGGGTDNVLHIWKAAAPNIDLIAPDIYFRDYKTVSKVLE
LYTRPDNALFVAEIGNDQPFARYLFPTLGKGGIGFSPFGMDDTDYTNYPL
GAKVYNDETIEQFAQVYRLVNPMMREWARLSYQGQVWGVAEPLDSTTEEQ
HKKDRASALTQQLDLGLWDAEVTYGRPMFWVTPPEGNTPAAGGALIAQLD
DNEYLVTAYKARVEFKPSQELAGKKFMIERVEEGRFEKGKWVMERVWNGD
QTDWGLNFTDRPHLLRVKMASYSVQ
Ligand information
Ligand IDUUU
InChIInChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4-,5-,6-,7-/m0/s1
InChIKeySWVTZDDSAFUTKS-OUIVRQFQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4C(C1C(C(C(C(C1O)O)O)O)N)O
OpenEye OEToolkits 2.0.4C([C@@H]1[C@@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O
CACTVS 3.385N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
CACTVS 3.385N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
ACDLabs 12.01C1(C(C(C(C(C1CO)N)O)O)O)O
FormulaC7 H15 N O5
Name(1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
ChEMBL
DrugBank
ZINC
PDB chain5jaw Chain F Residue 601 [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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PDB5jaw Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		K134 N135 N204 E205 E349 F374 N383
Binding residue
(residue number reindexed from 1)		K98 N99 N168 E169 E313 F338 N347
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004565 beta-galactosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0009341 beta-galactosidase complex

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5jaw, PDBe:5jaw, PDBj:5jaw
PDBsum5jaw
PubMed29116266
UniProtB3PBE0

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