Structure of PDB 3a4a Chain A Binding Site BS01

Receptor Information
>3a4a Chain A (length=586) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSAHPETEPKWWKEATFYQIYPASFKDSNDDGWGDMKGIASKLEYIKELG
ADAIWISPFYDSPQDDMGYDIANYEKVWPTYGTNEDCFALIEKTHKLGMK
FITDLVINHCSSEHEWFKESRSSKTNPKRDWFFWRPPKGYDAEGKPIPPN
NWKSYFGGSAWTFDEKTQEFYLRLFCSTQPDLNWENEDCRKAIYESAVGY
WLDHGVDGFRIDVGSLYSKVVGLPDAPVVDKNSTWQSSDPYTLNGPRIHE
FHQEMNQFIRNRVKDGREIMTVGEMQHASDETKRLYTSASRHELSELFNF
SHTDVGTSPLFRYNLVPFELKDWKIALAELFRYINGTDCWSTIYLENHDQ
PRSITRFGDDSPKNRVISGKLLSVLLSALTGTLYVYQGQELGQINFKNWP
VEKYEDVEIRNNYNAIKEEHGENSEEMKKFLEAIALISRDHARTPMQWSR
EEPNAGFSGPSAKPWFYLNDSFREGINVEDEIKDPNSVLNFWKEALKFRK
AHKDITVYGYDFEFIDLDNKKLFSFTKKYNNKTLFAALNFSSDATDFKIP
NDDSSFKLEFGNYPKKEVDASSRTLKPWEGRIYISE
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 chain3a4a Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a4a Crystal structures of isomaltase from Saccharomyces cerevisiae and in complex with its competitive inhibitor maltose
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D69 Y72 H112 F178 D215 V216 E277 H351 D352 R442
Binding residue
(residue number reindexed from 1)		D66 Y69 H109 F175 D212 V213 E274 H348 D349 R439
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D107 D215 E277 H351 D352
Catalytic site (residue number reindexed from 1) D104 D212 E274 H348 D349
Enzyme Commision number 3.2.1.10: oligo-1,6-glucosidase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0004558 alpha-1,4-glucosidase activity
GO:0004574 oligo-1,6-glucosidase activity
GO:0004575 sucrose alpha-glucosidase activity
GO:0005515 protein binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033934 glucan 1,4-alpha-maltotriohydrolase activity
GO:0090599 alpha-glucosidase activity
Biological Process
GO:0000023 maltose metabolic process
GO:0000025 maltose catabolic process
GO:0005975 carbohydrate metabolic process
GO:0005987 sucrose catabolic process
GO:0046352 disaccharide catabolic process
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3a4a, PDBe:3a4a, PDBj:3a4a
PDBsum3a4a
PubMed20812985
UniProtP53051|MALX3_YEAST Oligo-1,6-glucosidase IMA1 (Gene Name=IMA1)

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