Structure of PDB 5b7g Chain A Binding Site BS01

Receptor Information

>5b7g Chain A (length=249) Species: 380703 (Aeromonas hydrophila subsp. hydrophila ATCC 7966)

ASAPILIQGAMDVEVETLVAALKDKQELTVGSWTYWQGTLSGYPVVVSRT
EVGLANAAAATTLAMERFQPRLVINQGTAGGHDPALHRGDIVIGTKSFNM
GAYRSDLTPAEQGVDPSKWHNFEVTMRLRDNGKLVEHSSFAGDPELVGRA
LGMADRYRHGRVVPGIIGTADEWNRQVARINWLHQTYQTAAEEMETSSAA
LVAEAYKVPFVGIRVLSNTDLHGEEFDPQTAIHCQQFVIDYAKALINGF

Ligand information

• Ligand ID: ADE
• InChI: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
• InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Nc1ncnc2[nH]cnc12
  OpenEye OEToolkits 1.5.0: c1[nH]c2c(n1)c(ncn2)N
  ACDLabs 10.04: n1c(c2ncnc2nc1)N
• Formula: C5 H5 N5
• Name: ADENINE
• ChEMBL: CHEMBL226345
• DrugBank: DB00173
• ZINC: ZINC000000000882
• PDB chain: 5b7g Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5b7g Structural and Functional Analyses of Periplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase from Aeromonas hydrophila.
• Resolution: 1.399 Å
• Binding residue (original residue number in PDB): T104 A105 G106 W199 E218 S243 N244
• Binding residue (residue number reindexed from 1): T78 A79 G80 W173 E192 S217 N218
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): A90
• Catalytic site (residue number reindexed from 1): A64
• Enzyme Commision number: 3.2.2.16: methylthioadenosine nucleosidase.
  3.2.2.9: adenosylhomocysteine nucleosidase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008782 adenosylhomocysteine nucleosidase activity
• GO:0008930 methylthioadenosine nucleosidase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0009116 nucleoside metabolic process
• GO:0019284 L-methionine salvage from S-adenosylmethionine

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:5b7g, PDBe:5b7g, PDBj:5b7g
• PDBsum: 5b7g
• PubMed: 28862845
• UniProt: A0KGU9