Structure of PDB 6jr7 Chain A Binding Site BS02

Receptor Information
>6jr7 Chain A (length=812) Species: 376686 (Flavobacterium johnsoniae UW101) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQYLGNCTAYSVKGNKVVFSCANNSKIMLQLCSGEVVKIWASADGNFVRN
NESFAVIEEDLGWKGNVTVKEEPSTYEIFTEQLRIRVNKAPFQLQIFDKY
QKLLFSDYAEKGFVNDNGKIRTNKVLRNDEQFFGLGEKSGNLNRRGSAYK
MWNSDQPCYGVNEDPLYKSIPFFMSSYRYGIFFDNTYKTEFKFGSESNDY
YSFEAPAGQMVYYFMFGNDYKEIIQNYIALTGKPIMPPKWALGFSQCRGD
YTREDQAREIAAEFRKRKIPCDIIYQDIGWTEGLQDFDWRKNNYNNPKGM
VKDLSDMGFKMIVSQDPVISQANQQQWKEADALGHLVKDVRTGKSYDMPW
PWGGNCGVVDFTKPEVADWWGSYQQKPLNDGVRGFWTDMGEPAWSNEDAV
DRLNMKHHLGMHNEIHNVYGFTWDKVVTEQFYKHNPNKRIFQMTRAAYAG
LQRYTFGWSGDSGNGSNVLDGWKQMANQIPVGLSAGMGLIPFWTCDISGY
CGDIKDYDAMAELYVRWLQFGVFTPLSRAHHEGGNAVEPWKFGTEAENIS
RKSIELKYKLFPYLYTYAREAHDTGLPIMRALLLEYPNDKETFKLNGQFL
VGKELLVAPVVEQGAVTKDVYLPEGEWIDFNNCKTKYKGEQWITVDAPLN
TIPVFVKKGSIIPQMPVMQYIDEKKVYPVTFDIFPGNLNKETSFTFYEDD
GESRDYERDVFCKTKITSKASNEEIKITVGEREYKGYSPAGPRNFILKIH
ASNKPKDVFAGGEKLKNVKPHVLEKNIEADFTKINWSWNEAENVISVRIP
DSGKNAVITIKN
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain6jr7 Chain E Residue 2 [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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PDB6jr7 Structural insights into polysaccharide recognition by Flavobacterium johnsoniae dextranase, a member of glycoside hydrolase family 31.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		G273 W376 G557
Binding residue
(residue number reindexed from 1)		G249 W352 G533
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.20: alpha-glucosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004558 alpha-1,4-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6jr7, PDBe:6jr7, PDBj:6jr7
PDBsum6jr7
PubMed31552702
UniProtA5FBI1

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