Structure of PDB 6zj1 Chain AAA Binding Site BS05

Receptor Information

>6zj1 Chain AAA (length=362) Species: 9606 (Homo sapiens)

LNNYLHVFYYSWYGNPQFDGKYIHWNHPVLEHWDPRIAKNYPQGRHNPPD
DIGSSFYPELGSYSSRDPSVIETHMRQMRSASIGVLALSWYPPDVNDENG
EPTDNLVPTILDKAHKYNLKVTFHIEPYSNRDDQNMYKNVKYIIDKYGNH
PAFYRYKTKTGNALPMFYVYDSYITKPEKWANLLTTSGSRSIRNSPYDGL
FIALLVEEKHKYDILQSGFDGIYTYFATNGFTYGSSHQNWASLKLFCDKY
NLIFIPSVGPGYIDTSIRPWNTQNTRNRINGKYYEIGLSAALQTRPSLIS
ITSFNQWHEGTQIEKAVPKRTSNTVYLDYRPHKPGLYLELTRKWSEKYSK
ERATYALDRQLP

Ligand information

• Ligand ID: TEW
• InChI: InChI=1S/O6Te.H2O.17O.6W/c1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;/h;1H2;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;6*-1;;;;;;+1/p-1
• InChIKey: JDLYBIMRCSJRQJ-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.7.6: [O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]
• Formula: O24 Te W6
• Name: 6-tungstotellurate(VI)
• PDB chain: 6zj1 Chain AAA Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zj1 Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
• Resolution: 1.957 Å
• Binding residue (original residue number in PDB): T256 K257 T258 A454 L455 D456
• Binding residue (residue number reindexed from 1): T158 K159 T160 A356 L357 D358
• Annotation score: 1

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

External links

• PDB: RCSB:6zj1, PDBe:6zj1, PDBj:6zj1
• PDBsum: 6zj1
• PubMed: 33154157
• UniProt: Q5SRI9|MANEA_HUMAN Glycoprotein endo-alpha-1,2-mannosidase (Gene Name=MANEA)