Structure of PDB 4rxu Chain A Binding Site BS01

Receptor Information
>4rxu Chain A (length=340) Species: 324602 (Chloroflexus aurantiacus J-10-fl) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQQLAVGIVLPTKDEPRWIQDETRFREALQQAGYQVEILFSQGSSAKEKE
NVEALIAKGIKVLIICPHDGTAAAAAAEAARAAGVKVISYDRLIRETDAV
DYYVTFDSIAVGAQQAQYLVDHASGTGNPLYLYAGAASDNNAFLFFEGAW
KVLQPKIADGTFVIKNSSEAVALQNKLDLTRDEMAKIIGQVTTNWDFNTA
KNLAEANLTAATAADKGKVYILAPNDGTARAIADAFAADKDVTEYFVTGQ
DAEKASVQYIIDGRQSMTVFKDVRTLVQDAIKAAVALLQDQQPEARGTYN
NGKKDVPAIQSPVVTVTRDNVRAALIDSGYYSASDFTNLP
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4rxu Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4rxu Crystal structure of sugar transporter CAUR_1924 from Chloroflexus aurantiacus, Target EFI-511158
Resolution1.4 Å
Binding residue
(original residue number in PDB)		E62 R64 D138 R139 D186 N188 W242 N272 D298 K318
Binding residue
(residue number reindexed from 1)		E15 R17 D91 R92 D139 N141 W195 N225 D251 K271
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4rxu, PDBe:4rxu, PDBj:4rxu
PDBsum4rxu
PubMed
UniProtA9WDY0

[Back to BioLiP]