Structure of PDB 6zj1 Chain AAA Binding Site BS04

Receptor Information
>6zj1 Chain AAA (length=362) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNNYLHVFYYSWYGNPQFDGKYIHWNHPVLEHWDPRIAKNYPQGRHNPPD
DIGSSFYPELGSYSSRDPSVIETHMRQMRSASIGVLALSWYPPDVNDENG
EPTDNLVPTILDKAHKYNLKVTFHIEPYSNRDDQNMYKNVKYIIDKYGNH
PAFYRYKTKTGNALPMFYVYDSYITKPEKWANLLTTSGSRSIRNSPYDGL
FIALLVEEKHKYDILQSGFDGIYTYFATNGFTYGSSHQNWASLKLFCDKY
NLIFIPSVGPGYIDTSIRPWNTQNTRNRINGKYYEIGLSAALQTRPSLIS
ITSFNQWHEGTQIEKAVPKRTSNTVYLDYRPHKPGLYLELTRKWSEKYSK
ERATYALDRQLP
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](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
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain6zj1 Chain AdA Residue 4 [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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PDB6zj1 Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Resolution1.957 Å
Binding residue
(original residue number in PDB)		H125 D195 E196 N197 I365 R366 E407
Binding residue
(residue number reindexed from 1)		H27 D97 E98 N99 I267 R268 E309
Annotation score3
Enzymatic activity
Enzyme Commision number 3.2.1.130: glycoprotein endo-alpha-1,2-mannosidase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds

View graph for
Molecular Function
External links
PDB RCSB:6zj1, PDBe:6zj1, PDBj:6zj1
PDBsum6zj1
PubMed33154157
UniProtQ5SRI9|MANEA_HUMAN Glycoprotein endo-alpha-1,2-mannosidase (Gene Name=MANEA)

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