Structure of PDB 2oww Chain A Binding Site BS03

Receptor Information
>2oww 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 IDG4D
InChIInChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1
InChIKeyHDEMQQHXNOJATE-AZGQCCRYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(OC(C(C1O)O)O)CO
OpenEye OEToolkits 1.5.0C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO
CACTVS 3.341OC[CH]1C[CH](O)[CH](O)[CH](O)O1
CACTVS 3.341OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O)O1
ACDLabs 10.04OC1CC(OC(O)C1O)CO
FormulaC6 H12 O5
Name4-deoxy-alpha-D-glucopyranose;
4-DEOXY-ALPHA-D-GLUCOSE;
4-deoxy-D-glucose;
4-deoxy-glucose
ChEMBL
DrugBankDB02670
ZINCZINC000005851312
PDB chain2oww Chain A Residue 2300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2oww Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Q256 D293 H294 E340
Binding residue
(residue number reindexed from 1)		Q256 D293 H294 E340
Annotation score1
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:2oww, PDBe:2oww, PDBj:2oww
PDBsum2oww
PubMed17420245
UniProtO87172|MALQ_THETH 4-alpha-glucanotransferase (Gene Name=malQ)

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