Structure of PDB 6gsz Chain A Binding Site BS02

Receptor Information
>6gsz Chain A (length=863) Species: 33178 (Aspergillus terreus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALSISQVAFEHHRTALGIGETQPRVSWRFDGNVSDWEQRAYEIEVKRAGH
DADVFRSESSDSVLVPWPSSPLQSGEEATVRVRSFGSDGQHDTPWSDAVT
VEPGLLTPDDWHDAVVIASDRPTEVDATHRPIQFRKEFSVDDSYVSARLY
ITALGLYEARINDQRVGDHVMAPGWQSYQYRHEYNTYDVTDLLKQGPNAI
GVTVGEGWYSGRIGYDGGKRNIYGDTLGLLSLLVVTKSDGSKLYIPSDSS
WKSSTGPIISSEIYDGEEYDSRLEQKGWSQVGFNSTGWLGTHELSFPKER
LASPDGPPVRRVAEHKLANVFSSASGKTVLDFGQNLVGWLRIRVKGPKGQ
TIRFVHTEVMENGEVATRPLRQAKATDHFTLSGEGVQEWEPSFTYHGFRY
VQVDGWPADTPLDENSVTAIVVHSDMERTGYFECSNPLISKLHENILWSM
RGNFFSIPTDCPQRDERLGWTGDIHAFSRTANFIYDTAGFLRAWLKDARS
EQLNHSYSLPYVIPNIHGNGETPTSIWGDAIVGVPWQLYESFGDKVMLEE
QYGGAKDWVDKGIVRNDVGLWDRSTFQWADWLDPKAPADDPGDATTNKYL
VSDAYLLHSTDMLANISTSLSKGEEASNYTEWHAKLTKEFQKAWITSNGT
MANETQTGLALPLYFDLFPSAEQAQSAAKRLVNIIKQNDYKVGTGFAGTH
LLGHTLSKYGESDAFYSMLRQTEVPSWLYQVVMNGTTTWERWDSMLPNGS
INPGQMTSFNHYAVGSVGSWLHEVIGGLSPAEPGWRRINIEVVPGGDLQQ
ASTKFLTPYGMASTKWWLDGGFDFHLVAEVPPNTRATVVLPGKGGEKVDV
GSGVHEYHVRCVK
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain6gsz Chain F Residue 6 [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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PDB6gsz Crystal structure of native alpha-L-rhamnosidase from Aspergillus terreus.
Resolution1.38 Å
Binding residue
(original residue number in PDB)		K586 A587 P588
Binding residue
(residue number reindexed from 1)		K585 A586 P587
Annotation score2
Enzymatic activity
Enzyme Commision number 3.2.1.40: alpha-L-rhamnosidase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030596 alpha-L-rhamnosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6gsz, PDBe:6gsz, PDBj:6gsz
PDBsum6gsz
PubMed30387766
UniProtI0AZ41

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