Structure of PDB 1ge6 Chain A Binding Site BS01

Receptor Information

>1ge6 Chain A (length=163) Species: 5627 (Grifola frondosa)

CSSSEQSALAAAASAAQSYVAESLSYLQTHTAATPRYTTWFGSYISSRHS
TVLQHYTDMNSNDFSSYSFDCTCTAAGTFAYVYPNRFGTVYLCGAFWKAP
TTGTDSQAGTLVHESSHFTRNGGTKDYAYGQAAAKSLATMDPDKAVMNAD
NHEYFSENNPAQS

Ligand information

• Ligand ID: MAN
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 1ge6 Chain A Residue 900

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ge6 Structure of a new 'aspzincin' metalloendopeptidase from Grifola frondosa: implications for the catalytic mechanism and substrate specificity based on several different crystal forms.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): T42 T43
• Binding residue (residue number reindexed from 1): T38 T39
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H117 E118 H121 D130 Y133
• Catalytic site (residue number reindexed from 1): H113 E114 H117 D126 Y129
• Enzyme Commision number: 3.4.24.20: peptidyl-Lys metalloendopeptidase.

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity
• GO:0008237 metallopeptidase activity

External links

• PDB: RCSB:1ge6, PDBe:1ge6, PDBj:1ge6
• PDBsum: 1ge6
• PubMed: 11223512
• UniProt: P81054|PLMP_GRIFR Peptidyl-Lys metalloendopeptidase (Gene Name=MEP)