Structure of PDB 6jr7 Chain A Binding Site BS01

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 1 [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)		D301 W376 W410 D412 R469 D485 Y524 H554
Binding residue
(residue number reindexed from 1)		D277 W352 W386 D388 R445 D461 Y500 H530
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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