Structure of PDB 5a94 Chain A Binding Site BS01

Receptor Information
>5a94 Chain A (length=335) Species: 203122 (Saccharophagus degradans 2-40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWWDIPYPSQFDVKSLKTQSFISVKGNKFIDDKGKTFTFRGVNIADTGKL
LSRNQWQKSLFEELANNWGVNTIRLPIHPVSWRKLGPDVYLGHIDEAVRW
ANDLGIYLILDWHSIGYLPTEQYQHPMYDTTIKETRDFWRRITFRYQNVP
TVAVYELFNEPTTMGNTLGERNWAEWKTLNESLIDMIYASDKTVIPLVAG
FNWAYDLSPIKKAPIEREGIAYAAHPYPQKAKPEVKNDKNFFKLWDEKWG
FAADTYPVIATQLGWVQPDGYGAHIPVKDDGSYGPRIVKYMQKKGVSYTV
WVFDPDWSPTMINDWDFTPSEQGAFFKQVMLEAKK
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 chain5a94 Chain G 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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PDB5a94 The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
Resolution1.99 Å
Binding residue
(original residue number in PDB)		H142 I144 E189 Q291 H303 W330 S337
Binding residue
(residue number reindexed from 1)		H113 I115 E160 Q262 H274 W301 S308
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:5a94, PDBe:5a94, PDBj:5a94
PDBsum5a94
PubMed26755730
UniProtQ21KE5

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