Structure of PDB 2pwf Chain A Binding Site BS01

Receptor Information
>2pwf Chain A (length=555) Species: 265293 (Burkholderia ubonensis subsp. mesacidophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAPWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWIN
PHYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVVI
NHSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWEK
DPVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFATV
ATYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVTA
GEIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALDRWHTIPRTLADF
RQTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALAT
VTLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKATA
EELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAARE
IGDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGET
YLVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQSG
IYKVK
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 A Residue 9998 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		D59 Y62 H102 F162 R196 A198 E252 H324 D325 R412
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D99 R198 A200 E254 H326 D327
Catalytic site (residue number reindexed from 1) D97 R196 A198 E252 H324 D325
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

[Back to BioLiP]