Structure of PDB 2owc Chain A Binding Site BS01

Receptor Information
>2owc Chain A (length=498) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELPRAFGLLLHPTSLPGPYGVGVLGQEARDFLRFLKEAGGRYWQVLPLG
PTGYGDSPYQSFSAFAGNPYLIDLRPLAERGYVRLEDPGFPQGRVDYGLL
YAWKWPALKEAFRGFKEKASPEEREAFAAFREREAWWLEDYALFMALKGA
HGGLPWNRWPLPLRKREEKALREAKSALAEEVAFHAFTQWLFFRQWGALK
AEAEALGIRIIGDMPIFVAEDSAEVWAHPEWFHLDEEGRPTVVAGVPPDY
FSETGQRWGNPLYRWDVLEREGFSFWIRRLEKALELFHLVRIDHFRGFEA
YWEIPASCPTAVEGRWVKAPGEKLFQKIQEVFGEVPVLAEDLGVITPEVE
ALRDRFGLPGMKVLQFAFDMENPFLPHNYPAHGRVVVYTGTHDNDTTLGW
YRTATPHEKAFMARYLADWGITFREEEEVPWALMHLGMKSVARLAVYPVQ
DVLALGSEARMNYPGRPSGNWAWRLLPGELSPEHGARLRAMAEATERL
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 chain2owc Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2owc Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		Y59 D293 H394 D395
Binding residue
(residue number reindexed from 1)		Y59 D293 H392 D393
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D293 E340 N396
Catalytic site (residue number reindexed from 1) D293 E340 N394
Enzyme Commision number 2.4.1.25: 4-alpha-glucanotransferase.
Gene Ontology
Molecular Function
GO:0004134 4-alpha-glucanotransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2owc, PDBe:2owc, PDBj:2owc
PDBsum2owc
PubMed17420245
UniProtO87172|MALQ_THETH 4-alpha-glucanotransferase (Gene Name=malQ)

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