Structure of PDB 4n2z Chain A Binding Site BS02

Receptor Information
>4n2z Chain A (length=318) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLPTTWQWTSTGPLVGPKNDGRGIAGIKDPTIILINGTHHVFASTAQSA
GYNLVYFTFADWADAPNATFYYLDQAPLGTGYRAAPQVFWFAPHKLWYLV
YQNGNAAYSTNPDINNPKGWTAPKVFYPDGMPKIIEQNIGEGYWVDMWVI
CDSASCHLFSSDDNGQLYRSETSLEQFPNGMSQPVIAMQDNRNDLFEAAC
VYSLPDGKYLLLVEAIGTDGHRWFRSWTADSIRGPWQGLANTEQNPWARS
NNVQFDGDVWTKSISHGEIIRDGTVDEKLLIDPCNIRFMYQGMDPSAGGE
YNALPWRLGFIAHNNPAC
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 chain4n2z Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4n2z First Structural Insights into alpha-L-Arabinofuranosidases from the Two GH62 Glycoside Hydrolase Subfamilies.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D182 F215 E216 R241 Y320
Binding residue
(residue number reindexed from 1)		D163 F196 E197 R222 Y301
Annotation score4
Enzymatic activity
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
GO:0046872 metal ion binding
Biological Process
GO:0045493 xylan catabolic process
GO:0046373 L-arabinose 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:4n2z, PDBe:4n2z, PDBj:4n2z
PDBsum4n2z
PubMed24394409
UniProtE2GHW5

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