Structure of PDB 6frv Chain A Binding Site BS01

Receptor Information
>6frv Chain A (length=467) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLDSWLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFY
TWTRDSGLVLKTLVDLFRNGDTSLLSTIENYISAQAIVQGISNPSGDLSS
GAGLGEPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTST
ATDIVWPLVRNDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGS
AFATAVGSSCSWCDSQAPEILCYLQSFWTGSFILANFDSSRSGKDANTLL
GSIHTFDPEAACDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEA
VAVGRYPEDTYYNGNPWFLCTLAAAEQLYDALYQWDKQGSLEVTDVSLDF
FKALYSDAATGTYSSSSSTYSSIVDAVKTFADGFVSIVETHAASNGSMSE
QYDKSDGEQLSARDLTWSYAALLTANNRRNSVVPASWGETSASSVPGTCA
ATSAIGTYSSVTVTSWP
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(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
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain6frv Chain A Residue 704 [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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PDB6frv Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P181 S483 S484
Binding residue
(residue number reindexed from 1)		P157 S459 S460
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F211 I213 F251 W252
Catalytic site (residue number reindexed from 1) F187 I189 F227 W228
Enzyme Commision number 3.2.1.3: glucan 1,4-alpha-glucosidase.
Gene Ontology
Molecular Function
GO:0004339 glucan 1,4-alpha-glucosidase activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:2001070 starch binding
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0005976 polysaccharide metabolic process
Cellular Component
GO:0000324 fungal-type vacuole
GO:0005783 endoplasmic reticulum

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6frv, PDBe:6frv, PDBj:6frv
PDBsum6frv
PubMed29717717
UniProtP69328|AMYG_ASPNG Glucoamylase (Gene Name=GLAA)

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