Structure of PDB 5aci Chain A Binding Site BS02

Receptor Information
>5aci Chain A (length=235) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTLVWGVWVNGVDQGDGRNIYIRSPPNNNPVKNLTSPDMTCNVDNRVVPK
SVPVNAGDTLTFEWYHNTRDDDIIASSHHGPIAVYIAPAASNGQGNVWVK
LFEDAYNVTNSTWAVDRLITAHGQHSVVVPHVAPGDYLFRAEIIALHEAD
SLYSQNPIRGAQFYISCAQITINSSDDSTPLPAGVPFPGAYTDSTPGIQF
NIYTTPATSYVAPPPSVWSGALGGSIAQVGDASLE
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 chain5aci 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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PDB5aci The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H1 H66
Binding residue
(residue number reindexed from 1)		H1 H66
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0046872 metal ion binding
Biological Process
GO:0030245 cellulose catabolic process
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5aci, PDBe:5aci, PDBj:5aci
PDBsum5aci
PubMed26928935
UniProtA0A0S2GKZ1|LP9A_PANSI AA9 family lytic polysaccharide monooxygenase A (Gene Name=LPMO9A)

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