Structure of PDB 2pwf Chain B Binding Site BS01

Receptor Information
>2pwf Chain B (length=554) Species: 265293 (Burkholderia ubonensis subsp. mesacidophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWINP
HYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVVIN
HSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWEKD
PVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFATVA
TYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVTAG
EIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALDRWHTIPRTLADFR
QTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALATV
TLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKATAE
ELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAAREI
GDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGETY
LVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQSGI
YKVK
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain2pwf Chain B Residue 9999 [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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PDB2pwf Trehalulose synthase native and carbohydrate complexed structures provide insights into sucrose isomerization.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D61 Y64 H104 F164 R198 A200 E254 H326 D327 R414
Binding residue
(residue number reindexed from 1)		D58 Y61 H101 F161 R195 A197 E251 H323 D324 R411
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D99 R198 A200 E254 H326 D327
Catalytic site (residue number reindexed from 1) D96 R195 A197 E251 H323 D324
Enzyme Commision number 5.4.99.11: isomaltulose synthase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009313 oligosaccharide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2pwf, PDBe:2pwf, PDBj:2pwf
PDBsum2pwf
PubMed17597061
UniProtQ2PS28

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