Structure of PDB 1qw8 Chain A Binding Site BS01

Receptor Information
>1qw8 Chain A (length=497) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KATMIIEKDFKIAEIDKRIYGSFIEHLGRAVYGGIYEPGHPQADENGFRQ
DVIELVKELQVPIIRYPGGNFVSGYNWEDGVGPKEQRPRRLDLAWKSVET
NEIGLNEFMDWAKMVGAEVNMAVNLGTRGIDAARNLVEYCNHPSGSYYSD
LRIAHGYKEPHKIKTWCLGNAMDGPWQIGHKTAVEYGRIACEAAKVMKWV
DPTIELVVCGSSNRNMPTFAEWEATVLDHTYDHVDYISLHQYYGNRDNDT
ANYLALSLEMDDFIRSVVAIADYVKAKKRSKKTIHLSFDEWNVWYHSNEA
DKLIEPWTVAPPLLEDIYNFEDALLVGCMLITLMKHADRVKIACLAQLVN
VIAPIMTEKNGPAWKQTIYYPFMHASVYGRGVALHPVISSPKYDSKDFTD
VPYLESIAVYNEEKEEVTIFAVNRDMEDALLLECDVRSFEDYRVIEHIVL
EHDNVKQTNSAQSSPVVPHRNGDAQLSDRKVSATLPKLSWNVIRLGK
Ligand information
Ligand IDAHR
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeyHMFHBZSHGGEWLO-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namealpha-L-arabinofuranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBankDB03142
ZINCZINC000002569310
PDB chain1qw8 Chain C Residue 2 [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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PDB1qw8 Crystal structure and snapshots along the reaction pathway of a family 51 alpha-L-arabinofuranosidase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E29 G73 N74 N174 Y246 E294 Q351
Binding residue
(residue number reindexed from 1)		E25 G69 N70 N170 Y242 E290 Q347
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A175 E294
Catalytic site (residue number reindexed from 1) A171 E290
Enzyme Commision number 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046556 alpha-L-arabinofuranosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0031222 arabinan catabolic process
GO:0046373 L-arabinose metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1qw8, PDBe:1qw8, PDBj:1qw8
PDBsum1qw8
PubMed14517232
UniProtQ9XBQ3|IABF_GEOSE Intracellular exo-alpha-(1->5)-L-arabinofuranosidase (Gene Name=abfA)

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