Structure of PDB 5a95 Chain A Binding Site BS01

Receptor Information
>5a95 Chain A (length=337) Species: 203122 (Saccharophagus degradans 2-40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNDWWDIPYPSQFDVKSLKTQSFISVKGNKFIDDKGKTFTFRGVNIADTG
KLLSRNQWQKSLFEELANNWGVNTIRLPIHPVSWRKLGPDVYLGHIDEAV
RWANDLGIYLILDWHSIGYLPTEQYQHPMYDTTIKETRDFWRRITFRYQN
VPTVAVYELFNEPTTMGNTLGERNWAEWKTLNESLIDMIYASDKTVIPLV
AGFNWAYDLSPIKKAPIEREGIAYAAHPYPQKAKPEVKNDKNFFKLWDEK
WGFAADTYPVIATQLGWVQPDGYGAHIPVKDDGSYGPRIVKYMQKKGVSY
TVWVFDPDWSPTMINDWDFTPSEQGAFFKQVMLEAKK
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 chain5a95 Chain D Residue 1 [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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PDB5a95 The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
Resolution1.35 Å
Binding residue
(original residue number in PDB)		H142 I144 E189 Q291 H303 W330 S337
Binding residue
(residue number reindexed from 1)		H115 I117 E162 Q264 H276 W303 S310
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5a95, PDBe:5a95, PDBj:5a95
PDBsum5a95
PubMed26755730
UniProtQ21KE5

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