Structure of PDB 3a9s Chain B Binding Site BS01

Receptor Information
>3a9s Chain B (length=589) Species: 33936 (Aeribacillus pallidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKDPRYVGNLPKIGIRPTIDGRRKGVRESLEETTMNMAKAVAKLLEENVF
YYNGQPVECVIADTCIGGVKEAAEAAEKFAREGVGVSITVTPCWCYGTET
MDMDPHIPKAVWGFNGTERPGAVYLAAVLAGYNQKGLPAFGIYGKDVQDA
GDTNIPEDVKEKLIRFAKAGLAVAMMKGKSYLSIGSVSMGIAGSVVQEDF
FQNYLGMRNEYVDMSEFVRRIELGIYDKEEYERALKWVKENCKVGPDNNR
DGFKRTEEQKEKDWEISVKMALIARDLMVGNKKLEEMGYGEEALGRNAIV
AGFQGQRQWTDYFPNGDFMETILNSSFDWNGKRAPYIFATENDNLNGISM
LFGYLLTNTAQIFADVRTYWSPEAVKRVTGYTLEGRAANGIIHLINSGAA
ALDGTGEQTKDGKPVIKPYYELTDEDIKKCLEATQFRPASTEYFRGGGYS
TDFLTKGGMPVTISRLNIVKGLGPVLQIAEGYTVDLPEEVHDVLDKRTDP
TWPTTWFVPNLTGEGAFKDVYSVMNNWGANHCSISYGHIGADLITLASIL
RIPVNMHNVPEEKIFRPDAWSMFGTKDLEGADYRACKKL
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain3a9s Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a9s X-ray structures of Bacillus pallidusd-arabinose isomerase and its complex with l-fucitol.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R23 W95
Binding residue
(residue number reindexed from 1)		R22 W94
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E342 D366 H532
Catalytic site (residue number reindexed from 1) E341 D365 H531
Enzyme Commision number 5.3.1.25: L-fucose isomerase.
Gene Ontology
Molecular Function
GO:0008736 L-fucose isomerase activity
GO:0008790 arabinose isomerase activity
GO:0016853 isomerase activity
GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0005996 monosaccharide metabolic process
GO:0006004 fucose metabolic process
GO:0019317 fucose catabolic process
GO:0019571 D-arabinose catabolic process
GO:0042355 L-fucose catabolic 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:3a9s, PDBe:3a9s, PDBj:3a9s
PDBsum3a9s
PubMed20123133
UniProtC0SSE7

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