Structure of PDB 5a7e Chain A Binding Site BS01

Receptor Information
>5a7e Chain A (length=496) Species: 76126 (Coriolopsis gallica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVID
NMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVP
DQAGTFWYHSHLSTQYCDGLRGPIVVYDPNDPHKSLYDVDDDSTVITLAD
WYHLAAKVGAPVPTADATLINGLGRSSSTLAADLAVITVTKGKRYRFRLV
SLSCDPNYTFSIDGHSLTVIEADSVNLKPHTVDSLQIFAAQRYSFVLNAD
QDVDNYWIRALPNSGTQNFAGGTNSAILRYDGAAPVEPTTSQTPSTNPLV
ESALTTLEGTAAPGSPTPGGVDLALNMAFGFAGGNFTINGASFTPPTVPV
LLQILSGAQSAADLLPAGSVYSLPANADIEISLPATAAAPGFPHPFHLHG
HIFAVVRSAGSSTYNYANPVYRDVVSTGAPGDNVTIRFRTDNPGPWFLHC
HIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ
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 chain5a7e 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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PDB5a7e Metal Site Delocalization Observed in a Model Multicopper Oxidase: An Insight Into Water Release Mechanism
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N38 Y126
Binding residue
(residue number reindexed from 1)		N39 Y127
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H63 H65 H108 H110 H393 H396 H398 H448 C449 H450 I451 H454 F459
Catalytic site (residue number reindexed from 1) H64 H66 H109 H111 H394 H397 H399 H449 C450 H451 I452 H455 F460
Enzyme Commision number 1.10.3.2: laccase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0052716 hydroquinone:oxygen oxidoreductase activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5a7e, PDBe:5a7e, PDBj:5a7e
PDBsum5a7e
PubMed
UniProtQ1W6B1

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