Structure of PDB 3bmw Chain A Binding Site BS05

Receptor Information
>3bmw Chain A (length=683) Species: 33950 (Thermoanaerobacterium thermosulfurigenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASDTAVSNVVNYSTDVIYQIVTDRFVDGNTSNNPTGDLYDPTHTSLKKYF
GGDWQGIINKINDGYLTGMGVTAIWIPQPVENIYAVLPDSTFGGSTSYHG
YWARDFKRTNPYFGSFTDFQNLINTAHAHNIKVIIDFAPNHTSPASETDP
TYAENGRLYDNGTLLGGYTNDTNGYFHHYGGTDFSSYEDGIYRNLFDLAD
LNQQNSTIDSYLKSAIKVWLDMGIDGIRLDAVKHMPFGWQKNFMDSILSY
RPVFTFGEWFLGTNEIDVNNTYFANESGMSLLDFRFSQKVRQVFRDNTDT
MYGLDSMIQSTASDYNFINDMVTFIDNHDMDRFYNGGSTRPVEQALAFTL
TSRGVPAIYYGTEQYMTGNGDPYNRAMMTSFNTSTTAYNVIKKLAPLRKS
NPAIAYGTTQQRWINNDVYIYERKFGNNVALVAINRNLSTSYNITGLYTA
LPAGTYTDVLGGLLNGNSISVASDGSVTPFTLSAGEVAVWQYVSSSNSPL
IGHVGPTMTKAGQTITIDGRGFGTTSGQVLFGSTAGTIVSWDDTEVKVKV
PSVTPGKYNISLKTSSGATSNTYNNINILTGNQICVRFVVNNASTVYGEN
VYLTGNVAELGNWDTSKAIGPMFNQVVYQYPTWYYDVSVPAGTTIQFKFI
KKNGNTITWEGGSNHTYTVPSSSTGTVIVNWQQ
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 chain3bmw Chain D Residue 1 [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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PDB3bmw Elimination of competing hydrolysis and coupling side reactions of a cyclodextrin glucanotransferase by directed evolution.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y101 W102 D371 R375
Binding residue
(residue number reindexed from 1)		Y101 W102 D371 R375
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D136 R228 D230 E258 H328 D329
Catalytic site (residue number reindexed from 1) D136 R228 D230 E258 H328 D329
Enzyme Commision number 2.4.1.19: cyclomaltodextrin glucanotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase activity
GO:0016757 glycosyltransferase activity
GO:0030246 carbohydrate binding
GO:0043169 cation binding
GO:0043895 cyclomaltodextrin glucanotransferase activity
GO:0046872 metal ion binding
GO:2001070 starch binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bmw, PDBe:3bmw, PDBj:3bmw
PDBsum3bmw
PubMed18422488
UniProtP26827|CDGT_THETU Cyclomaltodextrin glucanotransferase (Gene Name=amyA)

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