Structure of PDB 5jiw Chain A Binding Site BS02

Receptor Information
>5jiw Chain A (length=500) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELPRAFGLLLHPTSLPGPYGVGVLGREARDFLRFLKEAGGRYWQVLPLG
PTGYGDSPYQSFSAFAGNPYLIDLRPLAERGYVRLEDPGFPQGRVDYGLL
YAWKWPALKEAFRGFKEKASPEEREAFAAFREREAWWLEDYALFMALKGA
HGGLPWNRWPLPLRKREEKALREAKSALAEEVAFHAFTQWLFFRQWGALK
AEAEALGIRIIGDMPIFVAEDSAEVWAHPEWFHLDEEGRPTVVAGVPPDY
FSETGQRWGNPLYRWDVLEREGFSFWIRRLEKALELFHLVRIAHFRGFEA
YWEIPASCPTAVEGRWVKAPGEKLFQKIQEVFGEVPVLAEDLGVITPEVE
ALRDRFGLPGMKVLQFAFDcGMENPFLPHNYPAHGRVVVYTGTHNNDTTL
GWYRTATPHEKAFMARYLADWGITFREEEEVPWALMHLGMKSVARLAVYP
VQDVLALGSEARMNYPGRPSGNWAWRLLPGELSPEHGARLRAMAEATERL
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 chain5jiw Chain B Residue 3 [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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PDB5jiw Amylose recognition and ring-size determination of amylomaltase.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		G343 D369 F376
Binding residue
(residue number reindexed from 1)		G343 D369 F376
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A293 E340 N395
Catalytic site (residue number reindexed from 1) A293 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
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Biological Process
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Cellular Component
External links
PDB RCSB:5jiw, PDBe:5jiw, PDBj:5jiw
PDBsum5jiw
PubMed28097217
UniProtO87172|MALQ_THETH 4-alpha-glucanotransferase (Gene Name=malQ)

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