Structure of PDB 5a8q Chain A Binding Site BS02

Receptor Information
>5a8q Chain A (length=336) Species: 203122 (Saccharophagus degradans 2-40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDWWDIPYPSQFDVKSLKTQSFISVKGNKFIDDKGKTFTFRGVNIADTGK
LLSRNQWQKSLFEELANNWGVNTIRLPIHPVSWRKLGPDVYLGHIDEAVR
WANDLGIYLILDWHSIGYLPTEQYQHPMYDTTIKETRDFWRRITFRYQNV
PTVAVYELFNEPTTMGNTLGERNWAEWKTLNESLIDMIYASDKTVIPLVA
GFNWAYDLSPIKKAPIEREGIAYAAHPYPQKAKPEVKNDKNFFKLWDEKW
GFAADTYPVIATQLGWVQPDGYGAHIPVKDDGSYGPRIVKYMQKKGVSYT
VWVFDPDWSPTMINDWDFTPSEQGAFFKQVMLEAKK
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 chain5a8q Chain B 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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PDB5a8q The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H142 I144 Y157 E189 Y256 Q291 H303 W330
Binding residue
(residue number reindexed from 1)		H114 I116 Y129 E161 Y228 Q263 H275 W302
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.73: licheninase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5a8q, PDBe:5a8q, PDBj:5a8q
PDBsum5a8q
PubMed26755730
UniProtQ21KE5

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